CID 66909

4-amino-n-benzylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2O2S/c14-12-6-8-13(9-7-12)18(16,17)15-10-11-4-2-1-3-5-11/h1-9,15H,10,14H2
InChIKey
ZHKXBELKPQXYEH-UHFFFAOYSA-N
Compound name
4-amino-N-benzylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1310
Patents

262.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.084876 156.3
[M+Na]+ 285.066818 163.5
[M-H]- 261.070324 162.6
[M+NH4]+ 280.111423 172.3
[M+K]+ 301.040758 158.5
[M+H-H2O]+ 245.074860 148.8
[M+HCOO]- 307.075801 176.4
[M+CH3COO]- 321.091451 196.1
[M+Na-2H]- 283.052266 161.9
[M]+ 262.07705142 156.0
[M]- 262.07814858 156.0
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

patents stripe