CID 110846

6407-78-9

Structural Information

Molecular Formula
C18H18N4O
SMILES
CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-20-17-14(3)21-22(18(17)23)15-7-5-4-6-8-15/h4-11,17H,1-3H3
InChIKey
KLQVCADYSBUVAV-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

425
Patents

306.14807 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.155346 172.7
[M+Na]+ 329.137288 182.1
[M-H]- 305.140794 183.4
[M+NH4]+ 324.181893 187.7
[M+K]+ 345.111228 177.4
[M+H-H2O]+ 289.145330 162.1
[M+HCOO]- 351.146271 199.4
[M+CH3COO]- 365.161921 215.8
[M+Na-2H]- 327.122736 175.6
[M]+ 306.14752142 175.1
[M]- 306.14861858 175.1
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

patents stripe