CID 209330

Methanesulfonic acid, ((1-phenylpyrazol-4-yl)amino)-, monosodium salt

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)NCS(=O)(=O)O
InChI
InChI=1S/C10H11N3O3S/c14-17(15,16)8-11-9-6-12-13(7-9)10-4-2-1-3-5-10/h1-7,11H,8H2,(H,14,15,16)
InChIKey
MUGFVHBPBFQZIL-UHFFFAOYSA-N
Compound name
[(1-phenylpyrazol-4-yl)amino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 153.3
[M+Na]+ 276.04133 162.3
[M-H]- 252.04483 157.0
[M+NH4]+ 271.08593 168.9
[M+K]+ 292.01527 158.2
[M+H-H2O]+ 236.04937 146.1
[M+HCOO]- 298.05031 171.2
[M+CH3COO]- 312.06596 187.6
[M+Na-2H]- 274.02678 158.2
[M]+ 253.05156 155.2
[M]- 253.05266 155.2
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.