CID 42945005

5-carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H10FN3O3
SMILES
C1C(N(N=C1C(=O)O)C2=CC=C(C=C2)F)C(=O)N
InChI
InChI=1S/C11H10FN3O3/c12-6-1-3-7(4-2-6)15-9(10(13)16)5-8(14-15)11(17)18/h1-4,9H,5H2,(H2,13,16)(H,17,18)
InChIKey
LHGQLTDUMDUDCU-UHFFFAOYSA-N
Compound name
3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07790 152.2
[M+Na]+ 274.05984 160.1
[M-H]- 250.06334 153.9
[M+NH4]+ 269.10444 166.9
[M+K]+ 290.03378 156.9
[M+H-H2O]+ 234.06788 143.5
[M+HCOO]- 296.06882 171.1
[M+CH3COO]- 310.08447 193.1
[M+Na-2H]- 272.04529 152.3
[M]+ 251.07007 148.8
[M]- 251.07117 148.8
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.