CID 16790646

3-amino-n-[2-(dimethylamino)ethyl]benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
CN(C)CCNS(=O)(=O)C1=CC=CC(=C1)N
InChI
InChI=1S/C10H17N3O2S/c1-13(2)7-6-12-16(14,15)10-5-3-4-9(11)8-10/h3-5,8,12H,6-7,11H2,1-2H3
InChIKey
YVGOHSSSSROEQY-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

243.10414 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 152.5
[M+Na]+ 266.09336 158.6
[M-H]- 242.09686 156.9
[M+NH4]+ 261.13796 169.8
[M+K]+ 282.06730 156.2
[M+H-H2O]+ 226.10140 145.3
[M+HCOO]- 288.10234 173.2
[M+CH3COO]- 302.11799 199.8
[M+Na-2H]- 264.07881 156.6
[M]+ 243.10359 154.0
[M]- 243.10469 154.0
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