CID 3047455

Brn 1012992

Structural Information

Molecular Formula
C13H17N3O2S2
SMILES
CCNC(=S)NC1=CC=C(C=C1)OCC2CNC(=S)O2
InChI
InChI=1S/C13H17N3O2S2/c1-2-14-12(19)16-9-3-5-10(6-4-9)17-8-11-7-15-13(20)18-11/h3-6,11H,2,7-8H2,1H3,(H,15,20)(H2,14,16,19)
InChIKey
FTUJTGOBCDRHSI-UHFFFAOYSA-N
Compound name
1-ethyl-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

311.07623 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08351 168.8
[M+Na]+ 334.06545 176.2
[M+NH4]+ 329.11005 175.5
[M+K]+ 350.03939 169.4
[M-H]- 310.06895 172.5
[M+Na-2H]- 332.05090 171.6
[M]+ 311.07568 171.4
[M]- 311.07678 171.4
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.