CID 24212709

853319-78-5

Structural Information

Molecular Formula
C18H13Cl3N2O3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)CN2C=CC3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C18H13Cl3N2O3/c1-26-16-3-2-10(19)8-15(16)22-17(24)9-23-5-4-12-13(18(23)25)6-11(20)7-14(12)21/h2-8H,9H2,1H3,(H,22,24)
InChIKey
MDALBFSPVXWWIF-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-2-(5,7-dichloro-1-oxoisoquinolin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.99918 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.00646 186.4
[M+Na]+ 432.98840 198.1
[M-H]- 408.99190 191.6
[M+NH4]+ 428.03300 198.6
[M+K]+ 448.96234 191.1
[M+H-H2O]+ 392.99644 179.6
[M+HCOO]- 454.99738 193.7
[M+CH3COO]- 469.01303 223.4
[M+Na-2H]- 430.97385 188.4
[M]+ 409.99863 194.0
[M]- 409.99973 194.0
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.