CID 3075356

Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, ethyl ester

Structural Information

Molecular Formula
C14H26N2O2S2
SMILES
CCSC(=S)NC(=O)CC(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C14H26N2O2S2/c1-6-20-14(19)15-12(17)7-13(18)16(8-10(2)3)9-11(4)5/h10-11H,6-9H2,1-5H3,(H,15,17,19)
InChIKey
WVQCLNNVYLYRNS-UHFFFAOYSA-N
Compound name
ethyl N-[3-[bis(2-methylpropyl)amino]-3-oxopropanoyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1436 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15088 177.6
[M+Na]+ 341.13282 178.8
[M-H]- 317.13632 177.4
[M+NH4]+ 336.17742 192.0
[M+K]+ 357.10676 176.4
[M+H-H2O]+ 301.14086 170.0
[M+HCOO]- 363.14180 185.1
[M+CH3COO]- 377.15745 215.2
[M+Na-2H]- 339.11827 170.7
[M]+ 318.14305 181.3
[M]- 318.14415 181.3
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.