CID 3305109

Ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate

Structural Information

Molecular Formula
C23H37NO3S
SMILES
CCCCCCCCCCCCSCC(=O)NC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C23H37NO3S/c1-3-5-6-7-8-9-10-11-12-13-18-28-19-22(25)24-21-16-14-20(15-17-21)23(26)27-4-2/h14-17H,3-13,18-19H2,1-2H3,(H,24,25)
InChIKey
DPBKXCQXLFMQCZ-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-dodecylsulfanylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.24942 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.25670 204.2
[M+Na]+ 430.23864 211.6
[M+NH4]+ 425.28324 209.2
[M+K]+ 446.21258 201.9
[M-H]- 406.24214 204.9
[M+Na-2H]- 428.22409 205.9
[M]+ 407.24887 205.6
[M]- 407.24997 205.6
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.