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 174.4
[M-H]- 310.06895 172.7
[M+NH4]+ 329.11005 182.2
[M+K]+ 350.03939 169.0
[M+H-H2O]+ 294.07349 161.8
[M+HCOO]- 356.07443 179.0
[M+CH3COO]- 370.09008 202.3
[M+Na-2H]- 332.05090 167.8
[M]+ 311.07568 168.0
[M]- 311.07678 168.0
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.