CID 217643

39113-18-3

Structural Information

Molecular Formula
C16H12Cl2N2O2
SMILES
C1C2=CC=CC=C2CN(C1=O)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O2/c17-13-6-5-11(7-14(13)18)16(22)19-20-9-12-4-2-1-3-10(12)8-15(20)21/h1-7H,8-9H2,(H,19,22)
InChIKey
XISZRDGMCUTRIH-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(3-oxo-1,4-dihydroisoquinolin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0276 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03488 171.9
[M+Na]+ 357.01682 181.1
[M-H]- 333.02032 177.2
[M+NH4]+ 352.06142 186.4
[M+K]+ 372.99076 174.2
[M+H-H2O]+ 317.02486 164.6
[M+HCOO]- 379.02580 182.3
[M+CH3COO]- 393.04145 182.4
[M+Na-2H]- 355.00227 175.3
[M]+ 334.02705 173.4
[M]- 334.02815 173.4
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.