CID 2728763

Ethyl (1-adamantylamino)carbothioylcarbamate

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CCOC(=O)NC(=S)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H22N2O2S/c1-2-18-13(17)15-12(19)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H2,15,16,17,19)
InChIKey
DFUZNDJMFAJHKC-UHFFFAOYSA-N
Compound name
ethyl N-(1-adamantylcarbamothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.1402 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 161.2
[M+Na]+ 305.12942 160.7
[M-H]- 281.13292 154.8
[M+NH4]+ 300.17402 183.6
[M+K]+ 321.10336 158.9
[M+H-H2O]+ 265.13746 156.4
[M+HCOO]- 327.13840 163.5
[M+CH3COO]- 341.15405 167.8
[M+Na-2H]- 303.11487 170.8
[M]+ 282.13965 163.2
[M]- 282.14075 163.2
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.