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 190.0
[M+Na]+ 402.10134 194.5
[M-H]- 378.10484 197.7
[M+NH4]+ 397.14594 199.9
[M+K]+ 418.07528 193.5
[M+H-H2O]+ 362.10938 181.1
[M+HCOO]- 424.11032 199.5
[M+CH3COO]- 438.12597 197.9
[M+Na-2H]- 400.08679 190.6
[M]+ 379.11157 185.0
[M]- 379.11267 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.