CID 3048023

63870-08-6

Structural Information

Molecular Formula
C21H25NO
SMILES
CC12CCN(C(C1)CC3=C2C=C(C=C3)O)CCC4=CC=CC=C4
InChI
InChI=1S/C21H25NO/c1-21-10-12-22(11-9-16-5-3-2-4-6-16)18(15-21)13-17-7-8-19(23)14-20(17)21/h2-8,14,18,23H,9-13,15H2,1H3
InChIKey
HHLGLTBQRBEMOO-UHFFFAOYSA-N
Compound name
1-methyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 177.2
[M+Na]+ 330.18282 192.0
[M+NH4]+ 325.22742 188.9
[M+K]+ 346.15676 179.9
[M-H]- 306.18632 182.2
[M+Na-2H]- 328.16827 184.4
[M]+ 307.19305 181.1
[M]- 307.19415 181.1
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.