PubChemLite - (2s)-1-(dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol (C23H26N6O2)

Structural Information

Molecular Formula

SMILES

CC1=C(N2C=CC=CC2=N1)C3=NC(=NC=C3)NC4=CC=C(C=C4)OC[C@H](CN(C)C)O

InChI

InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)/t18-/m0/s1

InChIKey

VCPXSBULBDYRLT-SFHVURJKSA-N

Compound name

(2S)-1-(dimethylamino)-3-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenoxy]propan-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	419.21901	200.2
[M+Na]+	441.20095	206.9
[M-H]-	417.20445	206.4
[M+NH4]+	436.24555	206.7
[M+K]+	457.17489	201.2
[M+H-H2O]+	401.20899	187.7
[M+HCOO]-	463.20993	219.5
[M+CH3COO]-	477.22558	208.3
[M+Na-2H]-	439.18640	203.8
[M]+	418.21118	204.4
[M]-	418.21228	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.21901

200.2

[M+Na]+

441.20095

206.9

[M-H]-

417.20445

206.4

[M+NH4]+

436.24555

206.7

[M+K]+

457.17489

201.2

[M+H-H2O]+

401.20899

187.7

[M+HCOO]-

463.20993

219.5

[M+CH3COO]-

477.22558

208.3

[M+Na-2H]-

439.18640

203.8

[M]+

418.21118

204.4

[M]-

418.21228

204.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2s)-1-(dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe