CID 52908213

1-benzyl-1h,6h,7h-pyrrolo[2,3-c]pyridin-7-one

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C(C=C1)CN2C=CC3=C2C(=O)NC=C3
InChI
InChI=1S/C14H12N2O/c17-14-13-12(6-8-15-14)7-9-16(13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
InChIKey
TYUSQBYDXATKFI-UHFFFAOYSA-N
Compound name
1-benzyl-6H-pyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.4
[M+Na]+ 247.08418 164.6
[M+NH4]+ 242.12878 157.2
[M+K]+ 263.05812 158.0
[M-H]- 223.08768 152.1
[M+Na-2H]- 245.06963 158.0
[M]+ 224.09441 151.8
[M]- 224.09551 151.8
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

No patent data available for this compound.