CID 11992146

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

Structural Information

Molecular Formula
C18H14FN3O
SMILES
C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC=CC=C4F
InChI
InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
InChIKey
XJJYJNMNYDNXNO-UHFFFAOYSA-N
Compound name
2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

19
Patents

307.1121 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11938 171.5
[M+Na]+ 330.10132 180.0
[M-H]- 306.10482 174.5
[M+NH4]+ 325.14592 183.2
[M+K]+ 346.07526 171.4
[M+H-H2O]+ 290.10936 160.5
[M+HCOO]- 352.11030 185.7
[M+CH3COO]- 366.12595 180.7
[M+Na-2H]- 328.08677 173.3
[M]+ 307.11155 165.2
[M]- 307.11265 165.2
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