CID 59079

101912-00-9

Structural Information

Molecular Formula
C19H23NO4S
SMILES
CC(CN1CCOCC1)C(C2=CC=CS2)OC(=O)OC3=CC=CC=C3
InChI
InChI=1S/C19H23NO4S/c1-15(14-20-9-11-22-12-10-20)18(17-8-5-13-25-17)24-19(21)23-16-6-3-2-4-7-16/h2-8,13,15,18H,9-12,14H2,1H3
InChIKey
HDODUNJLWXZHKT-UHFFFAOYSA-N
Compound name
(2-methyl-3-morpholin-4-yl-1-thiophen-2-ylpropyl) phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.13477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.142046 185.6
[M+Na]+ 384.123988 187.9
[M-H]- 360.127494 193.4
[M+NH4]+ 379.168593 196.7
[M+K]+ 400.097928 186.7
[M+H-H2O]+ 344.132030 177.1
[M+HCOO]- 406.132971 197.4
[M+CH3COO]- 420.148621 208.6
[M+Na-2H]- 382.109436 182.9
[M]+ 361.13422142 186.9
[M]- 361.13531858 186.9
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.