CID 3071729

Brn 5457697

Structural Information

Molecular Formula
C19H33N3O4S3
SMILES
CCCSCCC1=NN=C(S1)NC(=O)OCC2COC(O2)(C)C(C)CSCCC
InChI
InChI=1S/C19H33N3O4S3/c1-5-8-27-10-7-16-21-22-17(29-16)20-18(23)24-11-15-12-25-19(4,26-15)14(3)13-28-9-6-2/h14-15H,5-13H2,1-4H3,(H,20,22,23)
InChIKey
SPFXLBSGXFLBGP-UHFFFAOYSA-N
Compound name
[2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methyl N-[5-(2-propylsulfanylethyl)-1,3,4-thiadiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.16333 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.17061 202.7
[M+Na]+ 486.15255 206.9
[M-H]- 462.15605 205.9
[M+NH4]+ 481.19715 212.3
[M+K]+ 502.12649 204.1
[M+H-H2O]+ 446.16059 197.7
[M+HCOO]- 508.16153 204.8
[M+CH3COO]- 522.17718 228.9
[M+Na-2H]- 484.13800 198.8
[M]+ 463.16278 210.8
[M]- 463.16388 210.8
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.