CID 3046698

Brn 2160334

Structural Information

Molecular Formula
C14H25N3O3S
SMILES
CCN(CC)CCCNS(=O)(=O)C1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C14H25N3O3S/c1-4-17(5-2)10-6-9-16-21(18,19)14-8-7-12(15)11-13(14)20-3/h7-8,11,16H,4-6,9-10,15H2,1-3H3
InChIKey
ALDGITBBMMFVPY-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.16165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16893 174.2
[M+Na]+ 338.15087 181.4
[M+NH4]+ 333.19547 179.7
[M+K]+ 354.12481 175.2
[M-H]- 314.15437 175.6
[M+Na-2H]- 336.13632 177.7
[M]+ 315.16110 175.7
[M]- 315.16220 175.7
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