CID 3851493

5-amino-2-(diethylamino)-n-(2-methoxyphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C17H23N3O3S
SMILES
CCN(CC)C1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C17H23N3O3S/c1-4-20(5-2)15-11-10-13(18)12-17(15)24(21,22)19-14-8-6-7-9-16(14)23-3/h6-12,19H,4-5,18H2,1-3H3
InChIKey
VLPUMVGOTYHZSP-UHFFFAOYSA-N
Compound name
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

349.14603 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15331 180.9
[M+Na]+ 372.13525 186.8
[M-H]- 348.13875 188.4
[M+NH4]+ 367.17985 193.9
[M+K]+ 388.10919 183.2
[M+H-H2O]+ 332.14329 172.0
[M+HCOO]- 394.14423 201.0
[M+CH3COO]- 408.15988 221.2
[M+Na-2H]- 370.12070 183.5
[M]+ 349.14548 184.6
[M]- 349.14658 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe