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

0
Patents

298.1351 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14238 168.6
[M+Na]+ 321.12432 173.3
[M-H]- 297.12782 173.1
[M+NH4]+ 316.16892 184.1
[M+K]+ 337.09826 171.6
[M+H-H2O]+ 281.13236 161.2
[M+HCOO]- 343.13330 186.1
[M+CH3COO]- 357.14895 210.2
[M+Na-2H]- 319.10977 169.4
[M]+ 298.13455 172.9
[M]- 298.13565 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.