CID 42943780

1156075-93-2

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]+ 234.087326 149.8
[M+Na]+ 256.069268 156.8
[M-H]- 232.072774 152.6
[M+NH4]+ 251.113873 165.1
[M+K]+ 272.043208 154.0
[M+H-H2O]+ 216.077310 141.8
[M+HCOO]- 278.078251 169.8
[M+CH3COO]- 292.093901 189.1
[M+Na-2H]- 254.054716 151.2
[M]+ 233.07950142 147.0
[M]- 233.08059858 147.0
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.