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]+ 403.120776 195.0
[M+Na]+ 425.102718 202.1
[M-H]- 401.106224 203.5
[M+NH4]+ 420.147323 205.1
[M+K]+ 441.076658 194.3
[M+H-H2O]+ 385.110760 184.3
[M+HCOO]- 447.111701 210.5
[M+CH3COO]- 461.127351 204.0
[M+Na-2H]- 423.088166 198.8
[M]+ 402.11295142 197.0
[M]- 402.11404858 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.