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]+ 362.30535 195.5
[M+Na]+ 384.28729 195.5
[M-H]- 360.29079 189.6
[M+NH4]+ 379.33189 216.5
[M+K]+ 400.26123 190.6
[M+H-H2O]+ 344.29533 184.9
[M+HCOO]- 406.29627 193.6
[M+CH3COO]- 420.31192 199.4
[M+Na-2H]- 382.27274 200.0
[M]+ 361.29752 195.1
[M]- 361.29862 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.