CID 333272

82880-98-6

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CC1(C2CCC(O1)(C3C2N3C(=O)NC4=CC=CC5=CC=CC=C54)C)C
InChI
InChI=1S/C21H24N2O2/c1-20(2)15-11-12-21(3,25-20)18-17(15)23(18)19(24)22-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,15,17-18H,11-12H2,1-3H3,(H,22,24)
InChIKey
DFLHMSDIBOUJBH-UHFFFAOYSA-N
Compound name
5,7,7-trimethyl-N-naphthalen-1-yl-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

336.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 178.8
[M+Na]+ 359.17300 193.8
[M+NH4]+ 354.21760 192.7
[M+K]+ 375.14694 183.1
[M-H]- 335.17650 189.9
[M+Na-2H]- 357.15845 184.1
[M]+ 336.18323 185.9
[M]- 336.18433 185.9
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.