CID 5176829

N-(1-adamantyl)-2-chlorobenzamide

Structural Information

Molecular Formula
C17H20ClNO
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H20ClNO/c18-15-4-2-1-3-14(15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)
InChIKey
PMMNGVLZSPPURC-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

289.12335 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.130626 164.6
[M+Na]+ 312.112568 167.2
[M-H]- 288.116074 162.8
[M+NH4]+ 307.157173 187.4
[M+K]+ 328.086508 161.6
[M+H-H2O]+ 272.120610 157.7
[M+HCOO]- 334.121551 168.0
[M+CH3COO]- 348.137201 172.4
[M+Na-2H]- 310.098016 174.0
[M]+ 289.12280142 165.1
[M]- 289.12389858 165.1
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

No patent data available for this compound.