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 161.2
[M+Na]+ 294.12466 166.4
[M-H]- 270.12816 165.3
[M+NH4]+ 289.16926 177.4
[M+K]+ 310.09860 163.6
[M+H-H2O]+ 254.13270 153.6
[M+HCOO]- 316.13364 181.3
[M+CH3COO]- 330.14929 205.8
[M+Na-2H]- 292.11011 164.3
[M]+ 271.13489 163.4
[M]- 271.13599 163.4
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