CID 162345190

Ns00133119

Structural Information

Molecular Formula
C12H14N4O3S
SMILES
CC1=CC(=NC(=N1)N(C2=CC=C(C=C2)N)S(=O)(=O)O)C
InChI
InChI=1S/C12H14N4O3S/c1-8-7-9(2)15-12(14-8)16(20(17,18)19)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,17,18,19)
InChIKey
HVRZFGRIHOHWOR-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(4,6-dimethylpyrimidin-2-yl)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.085946 164.6
[M+Na]+ 317.067888 173.4
[M-H]- 293.071394 169.2
[M+NH4]+ 312.112493 177.0
[M+K]+ 333.041828 169.3
[M+H-H2O]+ 277.075930 156.2
[M+HCOO]- 339.076871 181.5
[M+CH3COO]- 353.092521 204.2
[M+Na-2H]- 315.053336 168.7
[M]+ 294.07812142 166.5
[M]- 294.07921858 166.5
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.