CID 364234

Nsc630108

Structural Information

Molecular Formula
C20H17Cl2N5O2
SMILES
CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2Cl)C)N=NC3=CC=CC=C3Cl
InChI
InChI=1S/C20H17Cl2N5O2/c1-12-20(25-24-17-10-6-4-8-15(17)22)13(2)27(26-12)19(29)11-18(28)23-16-9-5-3-7-14(16)21/h3-10H,11H2,1-2H3,(H,23,28)
InChIKey
JJTCLHXKNKKSLE-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-3-[4-[(2-chlorophenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.07593 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.08321 203.1
[M+Na]+ 452.06515 212.0
[M-H]- 428.06865 212.8
[M+NH4]+ 447.10975 213.8
[M+K]+ 468.03909 205.6
[M+H-H2O]+ 412.07319 192.6
[M+HCOO]- 474.07413 219.9
[M+CH3COO]- 488.08978 235.5
[M+Na-2H]- 450.05060 202.8
[M]+ 429.07538 209.9
[M]- 429.07648 209.9
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.