CID 3047452

Brn 1046094

Structural Information

Molecular Formula
C18H19N3O3S2
SMILES
COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3CNC(=S)O3
InChI
InChI=1S/C18H19N3O3S2/c1-22-14-6-2-12(3-7-14)20-17(25)21-13-4-8-15(9-5-13)23-11-16-10-19-18(26)24-16/h2-9,16H,10-11H2,1H3,(H,19,26)(H2,20,21,25)
InChIKey
HIGJHBXSLPEPRD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-[(2-sulfanylidene-1,3-oxazolidin-5-yl)methoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0868 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09408 186.1
[M+Na]+ 412.07602 195.4
[M+NH4]+ 407.12062 192.6
[M+K]+ 428.04996 187.8
[M-H]- 388.07952 192.1
[M+Na-2H]- 410.06147 191.5
[M]+ 389.08625 189.7
[M]- 389.08735 189.7
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.