CID 53048

Benzamide, n-(2-adamantyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C18H23NO
SMILES
CN(C1C2CC3CC(C2)CC1C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H23NO/c1-19(18(20)14-5-3-2-4-6-14)17-15-8-12-7-13(10-15)11-16(17)9-12/h2-6,12-13,15-17H,7-11H2,1H3
InChIKey
SMRALOAVZVVUMD-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 159.4
[M+Na]+ 292.16720 170.0
[M+NH4]+ 287.21180 171.5
[M+K]+ 308.14114 161.7
[M-H]- 268.17070 161.0
[M+Na-2H]- 290.15265 158.4
[M]+ 269.17743 161.4
[M]- 269.17853 161.4
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