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]+ 290.13063 164.6
[M+Na]+ 312.11257 167.2
[M-H]- 288.11607 162.8
[M+NH4]+ 307.15717 187.4
[M+K]+ 328.08651 161.6
[M+H-H2O]+ 272.12061 157.7
[M+HCOO]- 334.12155 168.0
[M+CH3COO]- 348.13720 172.4
[M+Na-2H]- 310.09802 174.0
[M]+ 289.12280 165.1
[M]- 289.12390 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.