CID 214745

Tropan-3-alpha-yl-10,11-dihydro-5h-benzo(4,5)cyclohepta(1,2-b)pyridine-5-carboxylate

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3C4=C(CCC5=CC=CC=C35)N=CC=C4
InChI
InChI=1S/C23H26N2O2/c1-25-16-9-10-17(25)14-18(13-16)27-23(26)22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-24-21/h2-7,12,16-18,22H,8-11,13-14H2,1H3/t16-,17+,18?,22?
InChIKey
CXVIMBRBTBDLHU-RPIYSHSISA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 188.1
[M+Na]+ 385.18865 193.1
[M-H]- 361.19215 193.6
[M+NH4]+ 380.23325 202.2
[M+K]+ 401.16259 189.6
[M+H-H2O]+ 345.19669 179.8
[M+HCOO]- 407.19763 198.8
[M+CH3COO]- 421.21328 196.0
[M+Na-2H]- 383.17410 188.6
[M]+ 362.19888 183.0
[M]- 362.19998 183.0
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.