CID 388452

Dtxsid00938834

Structural Information

Molecular Formula
C13H14N4O
SMILES
CC1=C(NN(C1=O)C2=NCCN2)C3=CC=CC=C3
InChI
InChI=1S/C13H14N4O/c1-9-11(10-5-3-2-4-6-10)16-17(12(9)18)13-14-7-8-15-13/h2-6,16H,7-8H2,1H3,(H,14,15)
InChIKey
XSEXQMKNKLIOHQ-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11676 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 154.7
[M+Na]+ 265.105978 164.0
[M-H]- 241.109484 157.7
[M+NH4]+ 260.150583 168.9
[M+K]+ 281.079918 158.1
[M+H-H2O]+ 225.114020 145.3
[M+HCOO]- 287.114961 173.0
[M+CH3COO]- 301.130611 165.9
[M+Na-2H]- 263.091426 155.6
[M]+ 242.11621142 151.4
[M]- 242.11730858 151.4
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.