CID 3045311

3-pyrazolecarboxylic acid, 4-amino-5-(m-methoxyphenyl)-

Structural Information

Molecular Formula
C11H11N3O3
SMILES
COC1=CC=CC(=C1)C2=NNC(=C2N)C(=O)O
InChI
InChI=1S/C11H11N3O3/c1-17-7-4-2-3-6(5-7)9-8(12)10(11(15)16)14-13-9/h2-5H,12H2,1H3,(H,13,14)(H,15,16)
InChIKey
YBSZVTJAXJFQRN-UHFFFAOYSA-N
Compound name
4-amino-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 149.7
[M+Na]+ 256.06927 158.2
[M-H]- 232.07277 151.8
[M+NH4]+ 251.11387 164.8
[M+K]+ 272.04321 154.4
[M+H-H2O]+ 216.07731 142.0
[M+HCOO]- 278.07825 170.5
[M+CH3COO]- 292.09390 187.6
[M+Na-2H]- 254.05472 152.1
[M]+ 233.07950 148.2
[M]- 233.08060 148.2
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.