CID 108555

61550-76-3

Structural Information

Molecular Formula
C18H17ClN4O3
SMILES
CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)Cl)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H17ClN4O3/c1-11-17(18(24)23(22-11)12-7-5-4-6-8-12)21-20-14-10-15(25-2)13(19)9-16(14)26-3/h4-10,17H,1-3H3
InChIKey
KROVXDRIZCELEG-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2,5-dimethoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0989 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10618 186.0
[M+Na]+ 395.08812 200.8
[M+NH4]+ 390.13272 192.7
[M+K]+ 411.06206 194.6
[M-H]- 371.09162 191.9
[M+Na-2H]- 393.07357 194.7
[M]+ 372.09835 189.9
[M]- 372.09945 189.9
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.