CID 24212714

853319-89-8

Structural Information

Molecular Formula
C24H19ClN2O2
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CN3C=CC4=C(C3=O)C=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O2/c25-20-11-10-18-12-13-27(24(29)21(18)15-20)16-23(28)26-22-9-5-4-8-19(22)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2,(H,26,28)
InChIKey
JVNIJQOPCSZKGV-UHFFFAOYSA-N
Compound name
N-(2-benzylphenyl)-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

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.120776 196.2
[M+Na]+ 425.102718 204.5
[M-H]- 401.106224 205.0
[M+NH4]+ 420.147323 206.7
[M+K]+ 441.076658 196.2
[M+H-H2O]+ 385.110760 185.4
[M+HCOO]- 447.111701 212.6
[M+CH3COO]- 461.127351 205.6
[M+Na-2H]- 423.088166 200.2
[M]+ 402.11295142 199.1
[M]- 402.11404858 199.1
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.