CID 36290

Ethacaine

Structural Information

Molecular Formula
C24H33N3O5S
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC
InChI
InChI=1S/C24H33N3O5S/c1-5-26(6-2)17-18-32-24(29)20-9-13-21(14-10-20)25-23(28)19-11-15-22(16-12-19)33(30,31)27(7-3)8-4/h9-16H,5-8,17-18H2,1-4H3,(H,25,28)
InChIKey
LMNHBNYHBPAVDP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.21408 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.22136 212.4
[M+Na]+ 498.20330 219.3
[M+NH4]+ 493.24790 215.9
[M+K]+ 514.17724 213.4
[M-H]- 474.20680 214.9
[M+Na-2H]- 496.18875 217.3
[M]+ 475.21353 214.1
[M]- 475.21463 214.1
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.