CID 3760805

N-(adamantan-1-yl)-2-chloro-n-[(3-methoxyphenyl)methyl]acetamide

Structural Information

Molecular Formula
C20H26ClNO2
SMILES
COC1=CC=CC(=C1)CN(C(=O)CCl)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H26ClNO2/c1-24-18-4-2-3-14(8-18)13-22(19(23)12-21)20-9-15-5-16(10-20)7-17(6-15)11-20/h2-4,8,15-17H,5-7,9-13H2,1H3
InChIKey
CLZPYDATKHVKSP-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1652 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17248 181.4
[M+Na]+ 370.15442 182.2
[M-H]- 346.15792 180.0
[M+NH4]+ 365.19902 202.2
[M+K]+ 386.12836 178.0
[M+H-H2O]+ 330.16246 173.5
[M+HCOO]- 392.16340 184.1
[M+CH3COO]- 406.17905 188.0
[M+Na-2H]- 368.13987 188.5
[M]+ 347.16465 185.1
[M]- 347.16575 185.1
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.