CID 365047

Nsc632005

Structural Information

Molecular Formula
C17H13ClN4O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN4O3/c18-10-6-8-11(9-7-10)20-16(24)14(23)13-15(19)21-22(17(13)25)12-4-2-1-3-5-12/h1-9,13H,(H2,19,21)(H,20,24)
InChIKey
IWEMEWAZLYOFKI-UHFFFAOYSA-N
Compound name
2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(4-chlorophenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.06763 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07491 180.7
[M+Na]+ 379.05685 188.6
[M-H]- 355.06035 188.1
[M+NH4]+ 374.10145 192.1
[M+K]+ 395.03079 182.7
[M+H-H2O]+ 339.06489 171.3
[M+HCOO]- 401.06583 198.1
[M+CH3COO]- 415.08148 215.5
[M+Na-2H]- 377.04230 180.6
[M]+ 356.06708 181.0
[M]- 356.06818 181.0
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.