CID 28063

P-ethoxythiobenzoic acid o-2-morpholinoethyl ester hydrochloride

Structural Information

Molecular Formula
C15H21NO3S
SMILES
CCOC1=CC=C(C=C1)C(=S)OCCN2CCOCC2
InChI
InChI=1S/C15H21NO3S/c1-2-18-14-5-3-13(4-6-14)15(20)19-12-9-16-7-10-17-11-8-16/h3-6H,2,7-12H2,1H3
InChIKey
YKARLAVANBOCQA-UHFFFAOYSA-N
Compound name
O-(2-morpholin-4-ylethyl) 4-ethoxybenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1242 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.131476 168.2
[M+Na]+ 318.113418 172.4
[M-H]- 294.116924 172.9
[M+NH4]+ 313.158023 181.0
[M+K]+ 334.087358 170.4
[M+H-H2O]+ 278.121460 159.8
[M+HCOO]- 340.122401 180.7
[M+CH3COO]- 354.138051 199.0
[M+Na-2H]- 316.098866 168.9
[M]+ 295.12365142 169.9
[M]- 295.12474858 169.9
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.