CID 460480

2-(1-adamantoylamino)-5-methyl-n-ethyl-benzamide

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCNC(=O)C1=C(C=CC(=C1)C)NC(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C21H28N2O2/c1-3-22-19(24)17-6-13(2)4-5-18(17)23-20(25)21-10-14-7-15(11-21)9-16(8-14)12-21/h4-6,14-16H,3,7-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
GTLBRJSJFROYLX-UHFFFAOYSA-N
Compound name
N-[2-(ethylcarbamoyl)-4-methylphenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 179.8
[M+Na]+ 363.20432 179.3
[M-H]- 339.20782 177.0
[M+NH4]+ 358.24892 199.2
[M+K]+ 379.17826 175.5
[M+H-H2O]+ 323.21236 171.6
[M+HCOO]- 385.21330 185.9
[M+CH3COO]- 399.22895 185.6
[M+Na-2H]- 361.18977 186.9
[M]+ 340.21455 179.1
[M]- 340.21565 179.1
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.