CID 3050025

4-amino-5-chloro-n-(4-(diethylamino)-1-methylbutyl)-2-methoxy-benzenesulfonamide hcl

Structural Information

Molecular Formula
C16H28ClN3O3S
SMILES
CCN(CC)CCCC(C)NS(=O)(=O)C1=C(C=C(C(=C1)Cl)N)OC
InChI
InChI=1S/C16H28ClN3O3S/c1-5-20(6-2)9-7-8-12(3)19-24(21,22)16-10-13(17)14(18)11-15(16)23-4/h10-12,19H,5-9,18H2,1-4H3
InChIKey
UOYNRYZGCXVQQI-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.154 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16128 188.4
[M+Na]+ 400.14322 193.5
[M-H]- 376.14672 192.4
[M+NH4]+ 395.18782 201.5
[M+K]+ 416.11716 189.4
[M+H-H2O]+ 360.15126 181.5
[M+HCOO]- 422.15220 201.8
[M+CH3COO]- 436.16785 226.8
[M+Na-2H]- 398.12867 187.1
[M]+ 377.15345 195.6
[M]- 377.15455 195.6
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.