CID 24212710

853319-81-0

Structural Information

Molecular Formula
C24H19ClN2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C=CC4=C(C3=O)C=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O2/c25-20-12-11-17-13-14-27(24(29)21(17)15-20)16-22(28)26-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,23H,16H2,(H,26,28)
InChIKey
FTASFQDCRRLXPB-UHFFFAOYSA-N
Compound name
N-benzhydryl-2-(7-chloro-1-oxoisoquinolin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1135 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12078 195.0
[M+Na]+ 425.10272 202.1
[M-H]- 401.10622 203.5
[M+NH4]+ 420.14732 205.1
[M+K]+ 441.07666 194.3
[M+H-H2O]+ 385.11076 184.3
[M+HCOO]- 447.11170 210.5
[M+CH3COO]- 461.12735 204.0
[M+Na-2H]- 423.08817 198.8
[M]+ 402.11295 197.0
[M]- 402.11405 197.0
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.