CID 24212712

853319-84-3

Structural Information

Molecular Formula
C24H18Cl2N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C=CC4=C(C3=O)C=C(C=C4Cl)Cl
InChI
InChI=1S/C24H18Cl2N2O2/c25-18-13-20-19(21(26)14-18)11-12-28(24(20)30)15-22(29)27-23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,23H,15H2,(H,27,29)
InChIKey
WFMWCIXHIOTIFN-UHFFFAOYSA-N
Compound name
N-benzhydryl-2-(5,7-dichloro-1-oxoisoquinolin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.07452 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08180 200.2
[M+Na]+ 459.06374 208.6
[M-H]- 435.06724 208.3
[M+NH4]+ 454.10834 209.8
[M+K]+ 475.03768 200.1
[M+H-H2O]+ 419.07178 190.2
[M+HCOO]- 481.07272 210.8
[M+CH3COO]- 495.08837 208.9
[M+Na-2H]- 457.04919 202.6
[M]+ 436.07397 204.4
[M]- 436.07507 204.4
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.