CID 108555

Dtxsid20886444

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 187.0
[M+Na]+ 395.08812 197.4
[M-H]- 371.09162 197.8
[M+NH4]+ 390.13272 200.2
[M+K]+ 411.06206 192.7
[M+H-H2O]+ 355.09616 176.5
[M+HCOO]- 417.09710 209.2
[M+CH3COO]- 431.11275 224.9
[M+Na-2H]- 393.07357 188.7
[M]+ 372.09835 194.7
[M]- 372.09945 194.7
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.