CID 30860

Tesicam

Structural Information

Molecular Formula
C16H11ClN2O3
SMILES
C1=CC=C2C(=C1)C(C(=O)NC2=O)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClN2O3/c17-9-5-7-10(8-6-9)18-15(21)13-11-3-1-2-4-12(11)14(20)19-16(13)22/h1-8,13H,(H,18,21)(H,19,20,22)
InChIKey
HWCORKBTTGTRDY-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1,3-dioxo-4H-isoquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3805
Patents

314.0458 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05308 167.9
[M+Na]+ 337.03502 182.3
[M+NH4]+ 332.07962 175.4
[M+K]+ 353.00896 174.9
[M-H]- 313.03852 171.5
[M+Na-2H]- 335.02047 174.7
[M]+ 314.04525 171.1
[M]- 314.04635 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe