CID 7275239

853319-73-0

Structural Information

Molecular Formula
C18H15ClN2O3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)CN2C=CC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15ClN2O3/c1-24-16-7-6-13(19)10-15(16)20-17(22)11-21-9-8-12-4-2-3-5-14(12)18(21)23/h2-10H,11H2,1H3,(H,20,22)
InChIKey
AOCPEJKSPZTHHL-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07712 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08440 176.5
[M+Na]+ 365.06634 192.8
[M+NH4]+ 360.11094 184.3
[M+K]+ 381.04028 184.1
[M-H]- 341.06984 181.2
[M+Na-2H]- 363.05179 185.0
[M]+ 342.07657 180.5
[M]- 342.07767 180.5
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.