CID 3046714

Benzenesulfonamide, 4-amino-5-chloro-2-methoxy-n-(3-(1-piperidinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H24ClN3O3S
SMILES
COC1=C(C=C(C(=C1)N)Cl)S(=O)(=O)NCCCN2CCCCC2
InChI
InChI=1S/C15H24ClN3O3S/c1-22-14-11-13(17)12(16)10-15(14)23(20,21)18-6-5-9-19-7-3-2-4-8-19/h10-11,18H,2-9,17H2,1H3
InChIKey
MJRFQSBVVOIOIA-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.12268 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12996 181.4
[M+Na]+ 384.11190 186.6
[M-H]- 360.11540 185.4
[M+NH4]+ 379.15650 193.2
[M+K]+ 400.08584 181.0
[M+H-H2O]+ 344.11994 174.0
[M+HCOO]- 406.12088 190.9
[M+CH3COO]- 420.13653 214.2
[M+Na-2H]- 382.09735 182.1
[M]+ 361.12213 182.4
[M]- 361.12323 182.4
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.