CID 337610

78439-24-4

Structural Information

Molecular Formula
C15H16N6O2
SMILES
CC1=NNC(=O)C1N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C15H16N6O2/c1-9-12(14(22)19-16-9)17-18-13-10(2)20(3)21(15(13)23)11-7-5-4-6-8-11/h4-8,12H,1-3H3,(H,19,22)
InChIKey
RTRROIUHWKBNRP-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13348 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14076 171.7
[M+Na]+ 335.12270 182.6
[M-H]- 311.12620 179.8
[M+NH4]+ 330.16730 185.1
[M+K]+ 351.09664 177.9
[M+H-H2O]+ 295.13074 161.5
[M+HCOO]- 357.13168 196.4
[M+CH3COO]- 371.14733 213.0
[M+Na-2H]- 333.10815 172.4
[M]+ 312.13293 174.4
[M]- 312.13403 174.4
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.