CID 14028789

Dtxsid20888802

Structural Information

Molecular Formula
C9H9ClN6O3S
SMILES
C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)Cl)N)S(=O)(=O)O
InChI
InChI=1S/C9H9ClN6O3S/c10-7-14-8(12)16-9(15-7)13-4-1-2-6(5(11)3-4)20(17,18)19/h1-3H,11H2,(H,17,18,19)(H3,12,13,14,15,16)
InChIKey
URRAUJYIOWUISP-UHFFFAOYSA-N
Compound name
2-amino-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.01453 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02181 165.1
[M+Na]+ 339.00375 176.1
[M+NH4]+ 334.04835 169.7
[M+K]+ 354.97769 171.0
[M-H]- 315.00725 166.5
[M+Na-2H]- 336.98920 170.9
[M]+ 316.01398 167.4
[M]- 316.01508 167.4
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