CID 98890

3-methyl-4-phenylhydrazino-2-pyrazolin-5-one

Structural Information

Molecular Formula
C10H12N4O
SMILES
CC1=NNC(=O)C1NNC2=CC=CC=C2
InChI
InChI=1S/C10H12N4O/c1-7-9(10(15)14-11-7)13-12-8-5-3-2-4-6-8/h2-6,9,12-13H,1H3,(H,14,15)
InChIKey
YXWPBSNRPGIOKR-UHFFFAOYSA-N
Compound name
3-methyl-4-(2-phenylhydrazinyl)-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 142.6
[M+Na]+ 227.09032 149.7
[M-H]- 203.09382 145.7
[M+NH4]+ 222.13492 159.3
[M+K]+ 243.06426 145.8
[M+H-H2O]+ 187.09836 134.2
[M+HCOO]- 249.09930 166.1
[M+CH3COO]- 263.11495 186.5
[M+Na-2H]- 225.07577 148.4
[M]+ 204.10055 138.9
[M]- 204.10165 138.9
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.