CID 9567552

Ethyl (ne)-n-[[1-adamantyl(methylsulfanyl)amino]methylene]carbamate

Structural Information

Molecular Formula
C15H24N2O2S
SMILES
CCOC(=O)/N=C/N(C12CC3CC(C1)CC(C3)C2)SC
InChI
InChI=1S/C15H24N2O2S/c1-3-19-14(18)16-10-17(20-2)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,3-9H2,1-2H3/b16-10+
InChIKey
IBABDWPMMRSLHE-MHWRWJLKSA-N
Compound name
ethyl (NE)-N-[[1-adamantyl(methylsulfanyl)amino]methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15585 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16313 165.9
[M+Na]+ 319.14507 165.3
[M-H]- 295.14857 161.8
[M+NH4]+ 314.18967 188.8
[M+K]+ 335.11901 164.8
[M+H-H2O]+ 279.15311 159.8
[M+HCOO]- 341.15405 170.5
[M+CH3COO]- 355.16970 173.1
[M+Na-2H]- 317.13052 175.3
[M]+ 296.15530 171.3
[M]- 296.15640 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.