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 179.4
[M+Na]+ 359.17300 186.9
[M-H]- 335.17650 182.2
[M+NH4]+ 354.21760 194.3
[M+K]+ 375.14694 183.3
[M+H-H2O]+ 319.18104 169.3
[M+HCOO]- 381.18198 185.9
[M+CH3COO]- 395.19763 187.4
[M+Na-2H]- 357.15845 188.6
[M]+ 336.18323 184.7
[M]- 336.18433 184.7
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.