CID 216038

2-dimethylaminoethyl 4-phenyl-4-(phenylthio)butyrate hydrogen maleate

Structural Information

Molecular Formula
C20H25NO2S
SMILES
CN(C)CCOC(=O)CCC(C1=CC=CC=C1)SC2=CC=CC=C2
InChI
InChI=1S/C20H25NO2S/c1-21(2)15-16-23-20(22)14-13-19(17-9-5-3-6-10-17)24-18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKey
LUFYNRAPRVBUQK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-phenyl-4-phenylsulfanylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1606 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16788 181.8
[M+Na]+ 366.14982 193.2
[M+NH4]+ 361.19442 189.8
[M+K]+ 382.12376 183.7
[M-H]- 342.15332 186.7
[M+Na-2H]- 364.13527 189.8
[M]+ 343.16005 185.3
[M]- 343.16115 185.3
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

No patent data available for this compound.