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]+ 254.059386 153.3
[M+Na]+ 276.041328 162.3
[M-H]- 252.044834 157.0
[M+NH4]+ 271.085933 168.9
[M+K]+ 292.015268 158.2
[M+H-H2O]+ 236.049370 146.1
[M+HCOO]- 298.050311 171.2
[M+CH3COO]- 312.065961 187.6
[M+Na-2H]- 274.026776 158.2
[M]+ 253.05156142 155.2
[M]- 253.05265858 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.