CID 10357216

Chembl266734

Structural Information

Molecular Formula
C11H16N6O2S
SMILES
CC1(N=C(N=C(N1C2=CC(=CC=C2)S(=O)(=O)N)N)N)C
InChI
InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16)
InChIKey
HLHOSDQNPZMKJD-UHFFFAOYSA-N
Compound name
3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

296.10553 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11281 166.0
[M+Na]+ 319.09475 175.7
[M-H]- 295.09825 168.4
[M+NH4]+ 314.13935 178.5
[M+K]+ 335.06869 170.4
[M+H-H2O]+ 279.10279 158.3
[M+HCOO]- 341.10373 181.0
[M+CH3COO]- 355.11938 206.5
[M+Na-2H]- 317.08020 170.3
[M]+ 296.10498 164.1
[M]- 296.10608 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.