CID 458932

N-[2-(4-aminoanilino)ethyl]benzenesulfonamide

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC=C(C=C2)N
InChI
InChI=1S/C14H17N3O2S/c15-12-6-8-13(9-7-12)16-10-11-17-20(18,19)14-4-2-1-3-5-14/h1-9,16-17H,10-11,15H2
InChIKey
NVXODVFKMDSZHT-UHFFFAOYSA-N
Compound name
N-[2-(4-aminoanilino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.10416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 162.9
[M+Na]+ 314.09338 168.7
[M-H]- 290.09688 168.8
[M+NH4]+ 309.13798 177.2
[M+K]+ 330.06732 163.3
[M+H-H2O]+ 274.10142 154.7
[M+HCOO]- 336.10236 183.5
[M+CH3COO]- 350.11801 204.4
[M+Na-2H]- 312.07883 168.8
[M]+ 291.10361 162.2
[M]- 291.10471 162.2
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.