CID 6602252

63904-94-9

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC(=O)C5=CN=CC=C5
InChI
InChI=1S/C23H26N2O2/c1-25-12-10-23-9-3-2-6-19(23)21(25)13-16-7-8-18(14-20(16)23)27-22(26)17-5-4-11-24-15-17/h4-5,7-8,11,14-15,19,21H,2-3,6,9-10,12-13H2,1H3/t19-,21+,23+/m0/s1
InChIKey
GZJXOSSXSRSWTL-XKCSPQBFSA-N
Compound name
[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 191.0
[M+Na]+ 385.18865 205.1
[M+NH4]+ 380.23325 201.7
[M+K]+ 401.16259 193.8
[M-H]- 361.19215 196.4
[M+Na-2H]- 383.17410 197.8
[M]+ 362.19888 194.8
[M]- 362.19998 194.8
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.