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 177.8
[M+Na]+ 382.06545 187.5
[M+NH4]+ 377.11005 185.1
[M+K]+ 398.03939 179.4
[M-H]- 358.06895 184.3
[M+Na-2H]- 380.05090 184.1
[M]+ 359.07568 181.7
[M]- 359.07678 181.7
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.