CID 4111451

Ethyl (4-methyl-1-piperazinyl)carbothioylcarbamate

Structural Information

Molecular Formula
C9H17N3O2S
SMILES
CCOC(=O)NC(=S)N1CCN(CC1)C
InChI
InChI=1S/C9H17N3O2S/c1-3-14-9(13)10-8(15)12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H,10,13,15)
InChIKey
BYRDGJCUGSMICY-UHFFFAOYSA-N
Compound name
ethyl N-(4-methylpiperazine-1-carbothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.10414 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11142 153.0
[M+Na]+ 254.09336 160.7
[M+NH4]+ 249.13796 159.2
[M+K]+ 270.06730 154.7
[M-H]- 230.09686 152.6
[M+Na-2H]- 252.07881 154.9
[M]+ 231.10359 153.9
[M]- 231.10469 153.9
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

patents stripe