CID 3063965

101911-89-1

Structural Information

Molecular Formula
C18H21NO4S
SMILES
C1COCCN1CCC(C2=CC=CS2)OC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C18H21NO4S/c20-18(22-15-5-2-1-3-6-15)23-16(17-7-4-14-24-17)8-9-19-10-12-21-13-11-19/h1-7,14,16H,8-13H2
InChIKey
DWZAFGCVSNWOOZ-UHFFFAOYSA-N
Compound name
(3-morpholin-4-yl-1-thiophen-2-ylpropyl) phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11914 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12642 181.0
[M+Na]+ 370.10836 184.1
[M-H]- 346.11186 188.9
[M+NH4]+ 365.15296 192.7
[M+K]+ 386.08230 182.5
[M+H-H2O]+ 330.11640 172.4
[M+HCOO]- 392.11734 194.1
[M+CH3COO]- 406.13299 204.8
[M+Na-2H]- 368.09381 179.8
[M]+ 347.11859 182.4
[M]- 347.11969 182.4
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.