CID 3045445

4'-(n,n-diethylalanyl)methanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C14H22N2O3S
SMILES
CCN(CC)C(C)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C
InChI
InChI=1S/C14H22N2O3S/c1-5-16(6-2)11(3)14(17)12-7-9-13(10-8-12)15-20(4,18)19/h7-11,15H,5-6H2,1-4H3
InChIKey
BMZROOFWQICRNB-UHFFFAOYSA-N
Compound name
N-[4-[2-(diethylamino)propanoyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.1351 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.142376 168.6
[M+Na]+ 321.124318 173.3
[M-H]- 297.127824 173.1
[M+NH4]+ 316.168923 184.1
[M+K]+ 337.098258 171.6
[M+H-H2O]+ 281.132360 161.2
[M+HCOO]- 343.133301 186.1
[M+CH3COO]- 357.148951 210.2
[M+Na-2H]- 319.109766 169.4
[M]+ 298.13455142 172.9
[M]- 298.13564858 172.9
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.