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]+ 270.185256 160.4
[M+Na]+ 292.167198 160.0
[M-H]- 268.170704 159.3
[M+NH4]+ 287.211803 181.4
[M+K]+ 308.141138 157.1
[M+H-H2O]+ 252.175240 152.4
[M+HCOO]- 314.176181 167.9
[M+CH3COO]- 328.191831 168.0
[M+Na-2H]- 290.152646 168.2
[M]+ 269.17743142 159.5
[M]- 269.17852858 159.5
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