CID 333271

82872-87-5

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CC1(C2CCC(O1)(C3C2N3C(=O)NC4=CC(=CC=C4)Cl)C)C
InChI
InChI=1S/C17H21ClN2O2/c1-16(2)12-7-8-17(3,22-16)14-13(12)20(14)15(21)19-11-6-4-5-10(18)9-11/h4-6,9,12-14H,7-8H2,1-3H3,(H,19,21)
InChIKey
MZELXWCWVZYPER-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12915 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 174.2
[M+Na]+ 343.11837 183.1
[M-H]- 319.12187 176.6
[M+NH4]+ 338.16297 190.3
[M+K]+ 359.09231 179.5
[M+H-H2O]+ 303.12641 167.2
[M+HCOO]- 365.12735 178.5
[M+CH3COO]- 379.14300 183.3
[M+Na-2H]- 341.10382 182.8
[M]+ 320.12860 182.0
[M]- 320.12970 182.0
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.