CID 121268

5080 hc

Structural Information

Molecular Formula
C12H21N3O2S
SMILES
CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C12H21N3O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10,13H2,1-2H3
InChIKey
APAAJTMOCWOMGA-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(diethylamino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

271.13544 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14272 162.4
[M+Na]+ 294.12466 170.1
[M+NH4]+ 289.16926 168.8
[M+K]+ 310.09860 163.6
[M-H]- 270.12816 164.4
[M+Na-2H]- 292.11011 167.0
[M]+ 271.13489 164.2
[M]- 271.13599 164.2
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