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

522
Patents

306.14807 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15535 172.7
[M+Na]+ 329.13729 182.1
[M-H]- 305.14079 183.4
[M+NH4]+ 324.18189 187.7
[M+K]+ 345.11123 177.4
[M+H-H2O]+ 289.14533 162.1
[M+HCOO]- 351.14627 199.4
[M+CH3COO]- 365.16192 215.8
[M+Na-2H]- 327.12274 175.6
[M]+ 306.14752 175.1
[M]- 306.14862 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