CID 272645

Nsc117268

Structural Information

Molecular Formula
C15H15ClN6O2S
SMILES
C1=CC(=CC=C1C2N=C(N=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)N)Cl
InChI
InChI=1S/C15H15ClN6O2S/c16-10-3-1-9(2-4-10)13-20-14(17)21-15(18)22(13)11-5-7-12(8-6-11)25(19,23)24/h1-8,13H,(H2,19,23,24)(H4,17,18,20,21)
InChIKey
PQCVHDDRCNRMGD-UHFFFAOYSA-N
Compound name
4-[4,6-diamino-2-(4-chlorophenyl)-2H-1,3,5-triazin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

378.06656 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07384 185.8
[M+Na]+ 401.05578 195.6
[M-H]- 377.05928 191.2
[M+NH4]+ 396.10038 193.6
[M+K]+ 417.02972 187.3
[M+H-H2O]+ 361.06382 176.7
[M+HCOO]- 423.06476 196.3
[M+CH3COO]- 437.08041 194.6
[M+Na-2H]- 399.04123 188.4
[M]+ 378.06601 185.0
[M]- 378.06711 185.0
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.