CID 27354

P-ethoxythiobenzoic acid o-2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C15H23NO2S
SMILES
CCN(CC)CCOC(=S)C1=CC=C(C=C1)OCC
InChI
InChI=1S/C15H23NO2S/c1-4-16(5-2)11-12-18-15(19)13-7-9-14(10-8-13)17-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKey
XFZPMZDFTYSRKS-UHFFFAOYSA-N
Compound name
O-[2-(diethylamino)ethyl] 4-ethoxybenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15224 167.2
[M+Na]+ 304.13418 177.3
[M+NH4]+ 299.17878 174.9
[M+K]+ 320.10812 168.7
[M-H]- 280.13768 169.6
[M+Na-2H]- 302.11963 172.0
[M]+ 281.14441 169.7
[M]- 281.14551 169.7
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.