CID 86135984

98517-73-8

Structural Information

Molecular Formula
C14H22N2O4S
SMILES
CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)O
InChI
InChI=1S/C14H22N2O4S/c1-4-16(5-2)9-8-15-14(18)12-10-11(21(3,19)20)6-7-13(12)17/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKey
SMMXTJMPESFCOQ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-hydroxy-5-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

314.13004 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137316 171.6
[M+Na]+ 337.119258 176.8
[M-H]- 313.122764 174.9
[M+NH4]+ 332.163863 186.0
[M+K]+ 353.093198 174.3
[M+H-H2O]+ 297.127300 164.4
[M+HCOO]- 359.128241 188.8
[M+CH3COO]- 373.143891 209.7
[M+Na-2H]- 335.104706 172.6
[M]+ 314.12949142 176.3
[M]- 314.13058858 176.3
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