CID 6447547

Brn 5984395

Structural Information

Molecular Formula
C16H21NO4S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=S)N2CCOCC2
InChI
InChI=1S/C16H21NO4S/c1-18-13-10-12(11-14(19-2)16(13)20-3)4-5-15(22)17-6-8-21-9-7-17/h4-5,10-11H,6-9H2,1-3H3/b5-4+
InChIKey
VKPHNZLLDFYGDL-SNAWJCMRSA-N
Compound name
(E)-1-morpholin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-ene-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12642 174.8
[M+Na]+ 346.10836 180.5
[M-H]- 322.11186 180.1
[M+NH4]+ 341.15296 186.9
[M+K]+ 362.08230 178.2
[M+H-H2O]+ 306.11640 166.5
[M+HCOO]- 368.11734 187.3
[M+CH3COO]- 382.13299 205.1
[M+Na-2H]- 344.09381 173.9
[M]+ 323.11859 178.3
[M]- 323.11969 178.3
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.