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]+ 343.084396 176.4
[M+Na]+ 365.066338 186.1
[M-H]- 341.069844 183.0
[M+NH4]+ 360.110943 190.1
[M+K]+ 381.040278 180.2
[M+H-H2O]+ 325.074380 167.8
[M+HCOO]- 387.075321 194.1
[M+CH3COO]- 401.090971 212.6
[M+Na-2H]- 363.051786 181.5
[M]+ 342.07657142 181.4
[M]- 342.07766858 181.4
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.