CID 360487

Nsc622621

Structural Information

Molecular Formula
C14H23N3O3
SMILES
CCOC(=O)NNC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H23N3O3/c1-2-20-13(19)17-16-12(18)15-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,17,19)(H2,15,16,18)
InChIKey
PCCDPHCNTKJXQU-UHFFFAOYSA-N
Compound name
ethyl N-(1-adamantylcarbamoylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18123 159.7
[M+Na]+ 304.16317 158.8
[M-H]- 280.16667 153.9
[M+NH4]+ 299.20777 181.3
[M+K]+ 320.13711 157.8
[M+H-H2O]+ 264.17121 153.9
[M+HCOO]- 326.17215 168.1
[M+CH3COO]- 340.18780 211.6
[M+Na-2H]- 302.14862 170.7
[M]+ 281.17340 159.4
[M]- 281.17450 159.4
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.