CID 163716

103053-15-2

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)C(=O)N
InChI
InChI=1S/C12H11N3O3/c1-7-2-4-8(5-3-7)15-10(11(13)16)9(6-14-15)12(17)18/h2-6H,1H3,(H2,13,16)(H,17,18)
InChIKey
WUXWGHOQHLIISU-UHFFFAOYSA-N
Compound name
5-carbamoyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

245.08005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08733 154.0
[M+Na]+ 268.06927 164.7
[M+NH4]+ 263.11387 159.4
[M+K]+ 284.04321 163.0
[M-H]- 244.07277 154.8
[M+Na-2H]- 266.05472 159.0
[M]+ 245.07950 155.3
[M]- 245.08060 155.3
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