CID 4962524

1-(adamantan-1-yl)-3-(prop-2-enoyl)urea

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C=CC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H20N2O2/c1-2-12(17)15-13(18)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h2,9-11H,1,3-8H2,(H2,15,16,17,18)
InChIKey
GKDKFXVMKPBZDI-UHFFFAOYSA-N
Compound name
N-(1-adamantylcarbamoyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.15248 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 155.8
[M+Na]+ 271.14170 156.0
[M-H]- 247.14520 150.3
[M+NH4]+ 266.18630 179.0
[M+K]+ 287.11564 153.3
[M+H-H2O]+ 231.14974 150.1
[M+HCOO]- 293.15068 163.2
[M+CH3COO]- 307.16633 163.2
[M+Na-2H]- 269.12715 165.5
[M]+ 248.15193 154.0
[M]- 248.15303 154.0
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.