CID 10389239

2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one

Structural Information

Molecular Formula
C21H16N4O
SMILES
C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4
InChI
InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
InChIKey
OWFLADWRSCINST-UHFFFAOYSA-N
Compound name
2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

53
Patents

340.13242 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13970 181.3
[M+Na]+ 363.12164 190.6
[M-H]- 339.12514 185.3
[M+NH4]+ 358.16624 191.0
[M+K]+ 379.09558 180.7
[M+H-H2O]+ 323.12968 169.7
[M+HCOO]- 385.13062 195.0
[M+CH3COO]- 399.14627 189.9
[M+Na-2H]- 361.10709 185.8
[M]+ 340.13187 177.5
[M]- 340.13297 177.5
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