CID 24212707

853319-75-2

Structural Information

Molecular Formula
C18H14Cl2N2O3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)CN2C=CC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C18H14Cl2N2O3/c1-25-16-5-4-13(20)9-15(16)21-17(23)10-22-7-6-11-2-3-12(19)8-14(11)18(22)24/h2-9H,10H2,1H3,(H,21,23)
InChIKey
IAUNGEKAHBNFEL-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-1-oxoisoquinolin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.03815 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.04543 181.7
[M+Na]+ 399.02737 192.7
[M-H]- 375.03087 187.9
[M+NH4]+ 394.07197 194.9
[M+K]+ 415.00131 185.9
[M+H-H2O]+ 359.03541 174.0
[M+HCOO]- 421.03635 194.4
[M+CH3COO]- 435.05200 217.8
[M+Na-2H]- 397.01282 185.3
[M]+ 376.03760 188.6
[M]- 376.03870 188.6
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.