CID 3046700

Benzenesulfonamide, 4-amino-n-(2-(diethylamino)ethyl)-2-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C13H23N3O3S
SMILES
CCN(CC)CCNS(=O)(=O)C1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C13H23N3O3S/c1-4-16(5-2)9-8-15-20(17,18)13-7-6-11(14)10-12(13)19-3/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKey
YEYAKNAPYNKNDJ-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.14603 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15331 168.6
[M+Na]+ 324.13525 173.9
[M-H]- 300.13875 172.7
[M+NH4]+ 319.17985 183.7
[M+K]+ 340.10919 171.5
[M+H-H2O]+ 284.14329 160.7
[M+HCOO]- 346.14423 188.5
[M+CH3COO]- 360.15988 212.2
[M+Na-2H]- 322.12070 170.8
[M]+ 301.14548 172.9
[M]- 301.14658 172.9
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

patents stripe