CID 64255

27865-94-7

Structural Information

Molecular Formula
C23H39NO2
SMILES
CC1(CC=CC(N1CC(COCC23CC4CC(C2)CC(C4)C3)O)(C)C)C
InChI
InChI=1S/C23H39NO2/c1-21(2)6-5-7-22(3,4)24(21)14-20(25)15-26-16-23-11-17-8-18(12-23)10-19(9-17)13-23/h5-6,17-20,25H,7-16H2,1-4H3
InChIKey
LGSLTTHHGAYGPW-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.29807 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.305346 195.5
[M+Na]+ 384.287288 195.5
[M-H]- 360.290794 189.6
[M+NH4]+ 379.331893 216.5
[M+K]+ 400.261228 190.6
[M+H-H2O]+ 344.295330 184.9
[M+HCOO]- 406.296271 193.6
[M+CH3COO]- 420.311921 199.4
[M+Na-2H]- 382.272736 200.0
[M]+ 361.29752142 195.1
[M]- 361.29861858 195.1
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.