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 152.9
[M+Na]+ 254.09336 157.6
[M-H]- 230.09686 153.0
[M+NH4]+ 249.13796 168.4
[M+K]+ 270.06730 155.8
[M+H-H2O]+ 214.10140 145.5
[M+HCOO]- 276.10234 165.0
[M+CH3COO]- 290.11799 189.0
[M+Na-2H]- 252.07881 152.5
[M]+ 231.10359 151.3
[M]- 231.10469 151.3
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

patents stripe