CID 105331

Dtxsid10886574

Structural Information

Molecular Formula
C17H14Cl2N4O2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2OC)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N4O2/c1-10-16(21-20-13-5-3-4-6-15(13)25-2)17(24)23(22-10)14-9-11(18)7-8-12(14)19/h3-9,16H,1-2H3
InChIKey
VDMPWAVIRNDZSQ-UHFFFAOYSA-N
Compound name
2-(2,5-dichlorophenyl)-4-[(2-methoxyphenyl)diazenyl]-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.04938 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05666 187.9
[M+Na]+ 399.03860 199.2
[M-H]- 375.04210 197.7
[M+NH4]+ 394.08320 201.4
[M+K]+ 415.01254 192.9
[M+H-H2O]+ 359.04664 177.9
[M+HCOO]- 421.04758 204.8
[M+CH3COO]- 435.06323 223.7
[M+Na-2H]- 397.02405 188.8
[M]+ 376.04883 195.0
[M]- 376.04993 195.0
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.