CID 112754

N-(2-amino-5-diethylaminophenethyl)methane sulfonamide hydrochloride

Structural Information

Molecular Formula
C13H23N3O2S
SMILES
CCN(CC)C1=CC(=C(C=C1)N)CCNS(=O)(=O)C
InChI
InChI=1S/C13H23N3O2S/c1-4-16(5-2)12-6-7-13(14)11(10-12)8-9-15-19(3,17)18/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKey
RGQFFQXJSCXIJX-UHFFFAOYSA-N
Compound name
N-[2-[2-amino-5-(diethylamino)phenyl]ethyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2462
Patents

285.1511 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15838 167.1
[M+Na]+ 308.14032 175.0
[M+NH4]+ 303.18492 173.4
[M+K]+ 324.11426 168.5
[M-H]- 284.14382 169.1
[M+Na-2H]- 306.12577 171.2
[M]+ 285.15055 169.0
[M]- 285.15165 169.0
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