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
3
Annotation Hits

1
References

3820
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 167.8
[M+Na]+ 337.03502 176.4
[M-H]- 313.03852 172.8
[M+NH4]+ 332.07962 181.8
[M+K]+ 353.00896 169.8
[M+H-H2O]+ 297.04306 160.3
[M+HCOO]- 359.04400 182.2
[M+CH3COO]- 373.05965 204.3
[M+Na-2H]- 335.02047 171.8
[M]+ 314.04525 166.9
[M]- 314.04635 166.9
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.