CID 3047451

Brn 1040976

Structural Information

Molecular Formula
C18H19N3O3S2
SMILES
COC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)OCC3CNC(=S)O3
InChI
InChI=1S/C18H19N3O3S2/c1-22-16-5-3-2-4-15(16)21-17(25)20-12-6-8-13(9-7-12)23-11-14-10-19-18(26)24-14/h2-9,14H,10-11H2,1H3,(H,19,26)(H2,20,21,25)
InChIKey
JUHHCQIRLGVMBF-UHFFFAOYSA-N
Compound name
1-(2-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 187.3
[M+Na]+ 412.07602 192.8
[M-H]- 388.07952 194.3
[M+NH4]+ 407.12062 197.3
[M+K]+ 428.04996 186.6
[M+H-H2O]+ 372.08406 179.5
[M+HCOO]- 434.08500 197.9
[M+CH3COO]- 448.10065 195.7
[M+Na-2H]- 410.06147 186.5
[M]+ 389.08625 187.7
[M]- 389.08735 187.7
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.