CID 93880

58686-39-8

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1C(=NN(C1=O)C2=CC=CC=C2)N
InChI
InChI=1S/C10H11N3O/c1-7-9(11)12-13(10(7)14)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,12)
InChIKey
FPPATQVGROAEOV-UHFFFAOYSA-N
Compound name
5-amino-4-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 139.8
[M+Na]+ 212.079428 149.3
[M-H]- 188.082934 144.2
[M+NH4]+ 207.124033 158.4
[M+K]+ 228.053368 145.9
[M+H-H2O]+ 172.087470 132.0
[M+HCOO]- 234.088411 163.1
[M+CH3COO]- 248.104061 184.4
[M+Na-2H]- 210.064876 143.7
[M]+ 189.08966142 138.1
[M]- 189.09075858 138.1
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