CID 116301

Morpholine, 4-(3,4,5-trimethoxybenzoyl)-thio-

Structural Information

Molecular Formula
C14H19NO4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCSCC2
InChI
InChI=1S/C14H19NO4S/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
IWUDGXPPUBECTD-UHFFFAOYSA-N
Compound name
thiomorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.1035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 166.3
[M+Na]+ 320.09272 172.2
[M-H]- 296.09622 171.2
[M+NH4]+ 315.13732 180.7
[M+K]+ 336.06666 170.1
[M+H-H2O]+ 280.10076 158.3
[M+HCOO]- 342.10170 180.0
[M+CH3COO]- 356.11735 200.4
[M+Na-2H]- 318.07817 165.7
[M]+ 297.10295 169.4
[M]- 297.10405 169.4
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

patents stripe