CID 118502708

Azd0156

Structural Information

Molecular Formula
C26H31N5O3
SMILES
CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4CCOCC4)C5=CN=C(C=C5)OCCCN(C)C
InChI
InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
InChIKey
AOTRIQLYUAFVSC-UHFFFAOYSA-N
Compound name
8-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

326
Patents

461.24268 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.24996 214.6
[M+Na]+ 484.23190 230.1
[M+NH4]+ 479.27650 220.6
[M+K]+ 500.20584 223.8
[M-H]- 460.23540 221.4
[M+Na-2H]- 482.21735 220.6
[M]+ 461.24213 218.8
[M]- 461.24323 218.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe