CID 3071728

138474-87-0

Structural Information

Molecular Formula
C18H31N3O4S3
SMILES
CCCSCC(C)C1(OCC(O1)COC(=O)NC2=NN=C(S2)CCSCC)C
InChI
InChI=1S/C18H31N3O4S3/c1-5-8-27-12-13(3)18(4)24-11-14(25-18)10-23-17(22)19-16-21-20-15(28-16)7-9-26-6-2/h13-14H,5-12H2,1-4H3,(H,19,21,22)
InChIKey
YUGSUWQSCFOFOG-UHFFFAOYSA-N
Compound name
[2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methyl N-[5-(2-ethylsulfanylethyl)-1,3,4-thiadiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.14767 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15495 200.5
[M+Na]+ 472.13689 205.0
[M+NH4]+ 467.18149 206.4
[M+K]+ 488.11083 197.9
[M-H]- 448.14039 202.9
[M+Na-2H]- 470.12234 200.5
[M]+ 449.14712 203.0
[M]- 449.14822 203.0
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.