CID 3047447

Brn 1040086

Structural Information

Molecular Formula
C17H17N3O2S2
SMILES
C1C(OC(=S)N1)COC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2S2/c23-16(19-12-4-2-1-3-5-12)20-13-6-8-14(9-7-13)21-11-15-10-18-17(24)22-15/h1-9,15H,10-11H2,(H,18,24)(H2,19,20,23)
InChIKey
LRKAMQBEBWGWRY-UHFFFAOYSA-N
Compound name
1-phenyl-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

359.07623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08351 179.4
[M+Na]+ 382.06545 185.1
[M-H]- 358.06895 186.4
[M+NH4]+ 377.11005 190.6
[M+K]+ 398.03939 178.5
[M+H-H2O]+ 342.07349 171.9
[M+HCOO]- 404.07443 190.3
[M+CH3COO]- 418.09008 188.3
[M+Na-2H]- 380.05090 179.4
[M]+ 359.07568 177.8
[M]- 359.07678 177.8
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.