CID 42943780

5-carbamoyl-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H11N3O3
SMILES
C1C(N(N=C1C(=O)O)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C11H11N3O3/c12-10(15)9-6-8(11(16)17)13-14(9)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,15)(H,16,17)
InChIKey
LUYBWURXJSOPOJ-UHFFFAOYSA-N
Compound name
3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 150.7
[M+Na]+ 256.06927 160.3
[M+NH4]+ 251.11387 156.2
[M+K]+ 272.04321 158.9
[M-H]- 232.07277 151.2
[M+Na-2H]- 254.05472 155.3
[M]+ 233.07950 151.7
[M]- 233.08060 151.7
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.