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]+ 362.14205 185.6
[M+Na]+ 384.12399 187.9
[M-H]- 360.12749 193.4
[M+NH4]+ 379.16859 196.7
[M+K]+ 400.09793 186.7
[M+H-H2O]+ 344.13203 177.1
[M+HCOO]- 406.13297 197.4
[M+CH3COO]- 420.14862 208.6
[M+Na-2H]- 382.10944 182.9
[M]+ 361.13422 186.9
[M]- 361.13532 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.