CID 6454619

Benzeneethanesulfonamide, 2-amino-5-(diethylamino)-n-methyl-, monohydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 165.7
[M+Na]+ 308.14032 171.3
[M-H]- 284.14382 169.9
[M+NH4]+ 303.18492 181.6
[M+K]+ 324.11426 168.3
[M+H-H2O]+ 268.14836 158.1
[M+HCOO]- 330.14930 185.3
[M+CH3COO]- 344.16495 210.0
[M+Na-2H]- 306.12577 167.6
[M]+ 285.15055 168.6
[M]- 285.15165 168.6
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

No patent data available for this compound.