CID 56927814

2-amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine

Structural Information

Molecular Formula
C9H8ClN5O3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N)Cl
InChI
InChI=1S/C9H8ClN5O3S/c10-7-13-8(11)15-9(14-7)12-5-2-1-3-6(4-5)19(16,17)18/h1-4H,(H,16,17,18)(H3,11,12,13,14,15)
InChIKey
INKDIXXCRXOUGO-UHFFFAOYSA-N
Compound name
3-[(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

0
Patents

301.00363 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.01091 161.2
[M+Na]+ 323.99285 171.8
[M-H]- 299.99635 163.5
[M+NH4]+ 319.03745 172.2
[M+K]+ 339.96679 165.3
[M+H-H2O]+ 284.00089 153.7
[M+HCOO]- 346.00183 172.8
[M+CH3COO]- 360.01748 198.6
[M+Na-2H]- 321.97830 167.1
[M]+ 301.00308 163.2
[M]- 301.00418 163.2
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.