PubChemLite - Azd1390 (C27H32FN5O2)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C

InChI

InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3

InChIKey

VQSZIPCGAGVRRP-UHFFFAOYSA-N

Compound name

7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

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]+	478.26128	221.9
[M+Na]+	500.24322	236.8
[M+NH4]+	495.28782	226.9
[M+K]+	516.21716	229.9
[M-H]-	476.24672	224.8
[M+Na-2H]-	498.22867	226.6
[M]+	477.25345	224.8
[M]-	477.25455	224.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.26128

221.9

[M+Na]+

500.24322

236.8

[M+NH4]+

495.28782

226.9

[M+K]+

516.21716

229.9

[M-H]-

476.24672

224.8

[M+Na-2H]-

498.22867

226.6

[M]+

477.25345

224.8

[M]-

477.25455

224.8

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

Azd1390

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe