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

34
Patents

314.13004 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13732 171.6
[M+Na]+ 337.11926 176.8
[M-H]- 313.12276 174.9
[M+NH4]+ 332.16386 186.0
[M+K]+ 353.09320 174.3
[M+H-H2O]+ 297.12730 164.4
[M+HCOO]- 359.12824 188.8
[M+CH3COO]- 373.14389 209.7
[M+Na-2H]- 335.10471 172.6
[M]+ 314.12949 176.3
[M]- 314.13059 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