CID 370002

Nsc642566

Structural Information

Molecular Formula
C24H17Cl2N5O3
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=CC=C3Cl)C(=O)CC(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C24H17Cl2N5O3/c25-16-10-4-6-12-18(16)27-20(32)14-21(33)31-24(34)23(22(30-31)15-8-2-1-3-9-15)29-28-19-13-7-5-11-17(19)26/h1-13,23H,14H2,(H,27,32)
InChIKey
NBGWYLQFBQVKMH-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-3-[4-[(2-chlorophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.07083 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.07811 216.9
[M+Na]+ 516.06005 224.2
[M-H]- 492.06355 229.0
[M+NH4]+ 511.10465 224.0
[M+K]+ 532.03399 217.3
[M+H-H2O]+ 476.06809 204.7
[M+HCOO]- 538.06903 232.4
[M+CH3COO]- 552.08468 244.9
[M+Na-2H]- 514.04550 216.3
[M]+ 493.07028 222.1
[M]- 493.07138 222.1
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.