CID 3066068

2-(4-cyclohexyl-1-naphthalenyl)-2-methyl-4-(1-methylethyl)morpholine

Structural Information

Molecular Formula
C24H33NO
SMILES
CC(C)N1CCOC(C1)(C)C2=CC=C(C3=CC=CC=C32)C4CCCCC4
InChI
InChI=1S/C24H33NO/c1-18(2)25-15-16-26-24(3,17-25)23-14-13-20(19-9-5-4-6-10-19)21-11-7-8-12-22(21)23/h7-8,11-14,18-19H,4-6,9-10,15-17H2,1-3H3
InChIKey
UQAJUVYFKKPNLZ-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylnaphthalen-1-yl)-2-methyl-4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.25623 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26351 190.6
[M+Na]+ 374.24545 192.9
[M-H]- 350.24895 198.0
[M+NH4]+ 369.29005 202.8
[M+K]+ 390.21939 188.7
[M+H-H2O]+ 334.25349 179.4
[M+HCOO]- 396.25443 200.7
[M+CH3COO]- 410.27008 198.0
[M+Na-2H]- 372.23090 190.4
[M]+ 351.25568 183.4
[M]- 351.25678 183.4
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.