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 187.1
[M+Na]+ 416.02648 193.9
[M-H]- 392.02998 194.5
[M+NH4]+ 411.07108 198.0
[M+K]+ 432.00042 186.2
[M+H-H2O]+ 376.03452 180.5
[M+HCOO]- 438.03546 193.3
[M+CH3COO]- 452.05111 195.7
[M+Na-2H]- 414.01193 185.9
[M]+ 393.03671 187.9
[M]- 393.03781 187.9
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.