CID 3406162

3-amino-4-(azepan-1-yl)-n-(2-chlorophenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C18H22ClN3O2S
SMILES
C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)N
InChI
InChI=1S/C18H22ClN3O2S/c19-15-7-3-4-8-17(15)21-25(23,24)14-9-10-18(16(20)13-14)22-11-5-1-2-6-12-22/h3-4,7-10,13,21H,1-2,5-6,11-12,20H2
InChIKey
GODMAVWAPALKBA-UHFFFAOYSA-N
Compound name
3-amino-4-(azepan-1-yl)-N-(2-chlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.11212 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11940 190.1
[M+Na]+ 402.10134 200.1
[M+NH4]+ 397.14594 196.6
[M+K]+ 418.07528 192.4
[M-H]- 378.10484 195.1
[M+Na-2H]- 400.08679 197.3
[M]+ 379.11157 193.6
[M]- 379.11267 193.6
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.