CID 3047450

Brn 1041673

Structural Information

Molecular Formula
C18H19N3O2S2
SMILES
CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3CNC(=S)O3
InChI
InChI=1S/C18H19N3O2S2/c1-12-2-4-13(5-3-12)20-17(24)21-14-6-8-15(9-7-14)22-11-16-10-19-18(25)23-16/h2-9,16H,10-11H2,1H3,(H,19,25)(H2,20,21,24)
InChIKey
MLLYBVJOTQHSBC-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-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

373.09186 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09914 184.3
[M+Na]+ 396.08108 190.3
[M-H]- 372.08458 191.5
[M+NH4]+ 391.12568 195.1
[M+K]+ 412.05502 183.4
[M+H-H2O]+ 356.08912 176.8
[M+HCOO]- 418.09006 194.8
[M+CH3COO]- 432.10571 193.0
[M+Na-2H]- 394.06653 183.1
[M]+ 373.09131 183.4
[M]- 373.09241 183.4
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

No patent data available for this compound.