CID 3047453

5-(4-(4-chlorophenyl thiocarbamido)phenoxymethyl)-2-oxazolidinethione

Structural Information

Molecular Formula
C17H16ClN3O2S2
SMILES
C1C(OC(=S)N1)COC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3O2S2/c18-11-1-3-12(4-2-11)20-16(24)21-13-5-7-14(8-6-13)22-10-15-9-19-17(25)23-15/h1-8,15H,9-10H2,(H,19,25)(H2,20,21,24)
InChIKey
DTXDCUPWJOOZEP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

393.03726 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.04454 186.2
[M+Na]+ 416.02648 197.0
[M+NH4]+ 411.07108 193.6
[M+K]+ 432.00042 188.1
[M-H]- 392.02998 192.7
[M+Na-2H]- 414.01193 192.1
[M]+ 393.03671 190.6
[M]- 393.03781 190.6
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.