CID 3066076

109461-38-3

Structural Information

Molecular Formula
C22H29NO
SMILES
CC1(CN(CCO1)C)C2=CC=C(C3=CC=CC=C32)C4CCCCC4
InChI
InChI=1S/C22H29NO/c1-22(16-23(2)14-15-24-22)21-13-12-18(17-8-4-3-5-9-17)19-10-6-7-11-20(19)21/h6-7,10-13,17H,3-5,8-9,14-16H2,1-2H3
InChIKey
KEWMUWOAKGFZHM-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 181.9
[M+Na]+ 346.21412 185.4
[M-H]- 322.21762 189.7
[M+NH4]+ 341.25872 195.4
[M+K]+ 362.18806 181.2
[M+H-H2O]+ 306.22216 170.8
[M+HCOO]- 368.22310 193.7
[M+CH3COO]- 382.23875 190.4
[M+Na-2H]- 344.19957 183.9
[M]+ 323.22435 174.7
[M]- 323.22545 174.7
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.