CID 365042

Nsc632000

Structural Information

Molecular Formula
C17H12Cl2N4O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2N4O3/c18-11-7-6-9(8-12(11)19)21-16(25)14(24)13-15(20)22-23(17(13)26)10-4-2-1-3-5-10/h1-8,13H,(H2,20,22)(H,21,25)
InChIKey
HEMQIVNWFZHJMJ-UHFFFAOYSA-N
Compound name
2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.02866 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.03594 187.3
[M+Na]+ 413.01788 196.4
[M-H]- 389.02138 194.3
[M+NH4]+ 408.06248 198.2
[M+K]+ 428.99182 189.6
[M+H-H2O]+ 373.02592 178.6
[M+HCOO]- 435.02686 199.5
[M+CH3COO]- 449.04251 220.7
[M+Na-2H]- 411.00333 185.7
[M]+ 390.02811 189.5
[M]- 390.02921 189.5
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.