CID 2787235

Adamantanyl-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C19H25NO
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NCCC4=CC=CC=C4
InChI
InChI=1S/C19H25NO/c21-18(20-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h1-5,15-17H,6-13H2,(H,20,21)
InChIKey
MIMGGDFBUATHFE-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

283.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 165.2
[M+Na]+ 306.18282 165.0
[M-H]- 282.18632 162.7
[M+NH4]+ 301.22742 186.9
[M+K]+ 322.15676 160.3
[M+H-H2O]+ 266.19086 156.6
[M+HCOO]- 328.19180 172.1
[M+CH3COO]- 342.20745 172.1
[M+Na-2H]- 304.16827 174.7
[M]+ 283.19305 163.6
[M]- 283.19415 163.6
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

patents stripe