PubChemLite - Awz1066s (C19H19F3N6O)

Structural Information

Molecular Formula

SMILES

C[C@H]1COCCN1C2=NC3=C(C=CC=N3)C(=N2)NCC4=C(N=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H19F3N6O/c1-12-11-29-9-8-28(12)18-26-16-14(5-3-7-24-16)17(27-18)25-10-13-4-2-6-23-15(13)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,24,25,26,27)/t12-/m0/s1

InChIKey

IZFVCNUAPFSNCO-LBPRGKRZSA-N

Compound name

2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine

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]+	405.16454	192.4
[M+Na]+	427.14648	203.5
[M+NH4]+	422.19108	195.7
[M+K]+	443.12042	197.7
[M-H]-	403.14998	193.0
[M+Na-2H]-	425.13193	197.6
[M]+	404.15671	193.8
[M]-	404.15781	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.16454

192.4

[M+Na]+

427.14648

203.5

[M+NH4]+

422.19108

195.7

[M+K]+

443.12042

197.7

[M-H]-

403.14998

193.0

[M+Na-2H]-

425.13193

197.6

[M]+

404.15671

193.8

[M]-

404.15781

193.8

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

Awz1066s

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe