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]+ 403.12078 196.2
[M+Na]+ 425.10272 204.5
[M-H]- 401.10622 205.0
[M+NH4]+ 420.14732 206.7
[M+K]+ 441.07666 196.2
[M+H-H2O]+ 385.11076 185.4
[M+HCOO]- 447.11170 212.6
[M+CH3COO]- 461.12735 205.6
[M+Na-2H]- 423.08817 200.2
[M]+ 402.11295 199.1
[M]- 402.11405 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.