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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	324.126416	174.8
[M+Na]+	346.108358	180.5
[M-H]-	322.111864	180.1
[M+NH4]+	341.152963	186.9
[M+K]+	362.082298	178.2
[M+H-H2O]+	306.116400	166.5
[M+HCOO]-	368.117341	187.3
[M+CH3COO]-	382.132991	205.1
[M+Na-2H]-	344.093806	173.9
[M]+	323.11859142	178.3
[M]-	323.11968858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.