CID 3536737

N-(p-nydroxyphenethyl)actinidine

Structural Information

Molecular Formula
C18H22NO
SMILES
CC1CCC2=C1C=[N+](C=C2C)CCC3=CC=C(C=C3)O
InChI
InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1
InChIKey
CKHCFVWFFIHGMT-UHFFFAOYSA-O
Compound name
4-[2-(4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.17014 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17742 162.8
[M+Na]+ 291.15936 179.3
[M+NH4]+ 286.20396 173.2
[M+K]+ 307.13330 173.0
[M-H]- 267.16286 169.0
[M+Na-2H]- 289.14481 170.8
[M]+ 268.16959 167.4
[M]- 268.17069 167.4
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.