CID 217641

39113-15-0

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1C2=CC=CC=C2CN(C1=O)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c19-15-10-13-8-4-5-9-14(13)11-18(15)17-16(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)
InChIKey
XZRWPQGDDQRRET-UHFFFAOYSA-N
Compound name
N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.9
[M+Na]+ 289.09475 165.2
[M-H]- 265.09825 164.6
[M+NH4]+ 284.13935 174.2
[M+K]+ 305.06869 160.7
[M+H-H2O]+ 249.10279 150.0
[M+HCOO]- 311.10373 179.0
[M+CH3COO]- 325.11938 170.0
[M+Na-2H]- 287.08020 165.1
[M]+ 266.10498 155.8
[M]- 266.10608 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.