CID 3056301

N-(6-phenyl-s-triazin-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C15H12N4O2S
SMILES
C1=CC=C(C=C1)C2=NC(=NC=N2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12N4O2S/c20-22(21,13-9-5-2-6-10-13)19-15-17-11-16-14(18-15)12-7-3-1-4-8-12/h1-11H,(H,16,17,18,19)
InChIKey
BCMMRWRUBBFFOK-UHFFFAOYSA-N
Compound name
N-(4-phenyl-1,3,5-triazin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07536 169.5
[M+Na]+ 335.05730 178.4
[M-H]- 311.06080 175.6
[M+NH4]+ 330.10190 179.5
[M+K]+ 351.03124 171.8
[M+H-H2O]+ 295.06534 159.3
[M+HCOO]- 357.06628 186.1
[M+CH3COO]- 371.08193 180.0
[M+Na-2H]- 333.04275 177.5
[M]+ 312.06753 170.2
[M]- 312.06863 170.2
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.