PubChemLite - 1505514-27-1 (C23H24FN5O)

Structural Information

Molecular Formula

SMILES

C[C@H](COC1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)N[C@H](C)C4=CC(=CC=C4)F)N

InChI

InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)/t15-,16-/m1/s1

InChIKey

HEVHTYMYEMEBPX-HZPDHXFCSA-N

Compound name

3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-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]+	406.20378	196.9
[M+Na]+	428.18572	204.0
[M-H]-	404.18922	202.6
[M+NH4]+	423.23032	205.2
[M+K]+	444.15966	197.0
[M+H-H2O]+	388.19376	184.4
[M+HCOO]-	450.19470	215.9
[M+CH3COO]-	464.21035	205.2
[M+Na-2H]-	426.17117	198.7
[M]+	405.19595	197.5
[M]-	405.19705	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.20378

196.9

[M+Na]+

428.18572

204.0

[M-H]-

404.18922

202.6

[M+NH4]+

423.23032

205.2

[M+K]+

444.15966

197.0

[M+H-H2O]+

388.19376

184.4

[M+HCOO]-

450.19470

215.9

[M+CH3COO]-

464.21035

205.2

[M+Na-2H]-

426.17117

198.7

[M]+

405.19595

197.5

[M]-

405.19705

197.5

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

1505514-27-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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