CID 21156109

Dtxsid40888389

Structural Information

Molecular Formula
C17H13Cl2N5O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)N)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N5O2/c1-9-15(22-21-12-5-2-10(3-6-12)16(20)25)17(26)24(23-9)14-7-4-11(18)8-13(14)19/h2-8,15H,1H3,(H2,20,25)
InChIKey
QFEJIZNWNIXNPF-UHFFFAOYSA-N
Compound name
4-[[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.04462 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.05190 191.7
[M+Na]+ 412.03384 202.1
[M-H]- 388.03734 201.3
[M+NH4]+ 407.07844 204.0
[M+K]+ 428.00778 195.6
[M+H-H2O]+ 372.04188 182.0
[M+HCOO]- 434.04282 208.4
[M+CH3COO]- 448.05847 228.4
[M+Na-2H]- 410.01929 191.3
[M]+ 389.04407 196.2
[M]- 389.04517 196.2
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.