CID 35788

2-(benzoylamino)-isoquinolinium chloride

Structural Information

Molecular Formula
C16H13N2O
SMILES
C1=CC=C(C=C1)C(=O)N[N+]2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H12N2O/c19-16(14-7-2-1-3-8-14)17-18-11-10-13-6-4-5-9-15(13)12-18/h1-12H/p+1
InChIKey
ZBISIETWIMMGEW-UHFFFAOYSA-O
Compound name
N-isoquinolin-2-ium-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.10278 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11006 153.7
[M+Na]+ 272.09200 171.5
[M+NH4]+ 267.13660 164.3
[M+K]+ 288.06594 163.3
[M-H]- 248.09550 161.3
[M+Na-2H]- 270.07745 165.7
[M]+ 249.10223 158.9
[M]- 249.10333 158.9
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

patents stripe