CID 66001

Nicanartine

Structural Information

Molecular Formula
C23H33NO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCOCC2=CN=CC=C2
InChI
InChI=1S/C23H33NO2/c1-22(2,3)19-13-17(14-20(21(19)25)23(4,5)6)10-8-12-26-16-18-9-7-11-24-15-18/h7,9,11,13-15,25H,8,10,12,16H2,1-6H3
InChIKey
YNBBIPPQHYZTQF-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[3-(pyridin-3-ylmethoxy)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

126
Patents

355.25113 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 192.6
[M+Na]+ 378.24035 205.5
[M+NH4]+ 373.28495 199.0
[M+K]+ 394.21429 198.3
[M-H]- 354.24385 195.1
[M+Na-2H]- 376.22580 199.3
[M]+ 355.25058 195.4
[M]- 355.25168 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe