CID 388452

1-(4,5-dihydro-1h-imidazol-2-yl)-4-methyl-3-phenyl-1h-pyrazol-5-ol

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]+ 243.12404 155.4
[M+Na]+ 265.10598 168.1
[M+NH4]+ 260.15058 161.8
[M+K]+ 281.07992 166.0
[M-H]- 241.10948 157.3
[M+Na-2H]- 263.09143 162.5
[M]+ 242.11621 157.5
[M]- 242.11731 157.5
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.