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 176.1
[M+Na]+ 330.18282 181.8
[M-H]- 306.18632 179.1
[M+NH4]+ 325.22742 193.1
[M+K]+ 346.15676 175.2
[M+H-H2O]+ 290.19086 166.4
[M+HCOO]- 352.19180 188.7
[M+CH3COO]- 366.20745 185.0
[M+Na-2H]- 328.16827 181.4
[M]+ 307.19305 172.3
[M]- 307.19415 172.3
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.