CID 214118

3-((10-cyano-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-tropane hydrogen fumarate

Structural Information

Molecular Formula
C24H24N2O
SMILES
CN1C2CCC1CC(C2)OC3C4=CC=CC=C4C=C(C5=CC=CC=C35)C#N
InChI
InChI=1S/C24H24N2O/c1-26-18-10-11-19(26)14-20(13-18)27-24-22-8-3-2-6-16(22)12-17(15-25)21-7-4-5-9-23(21)24/h2-9,12,18-20,24H,10-11,13-14H2,1H3
InChIKey
PGRLNKAXBMBIOK-UHFFFAOYSA-N
Compound name
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19615 189.9
[M+Na]+ 379.17809 199.9
[M-H]- 355.18159 195.4
[M+NH4]+ 374.22269 204.3
[M+K]+ 395.15203 190.2
[M+H-H2O]+ 339.18613 177.2
[M+HCOO]- 401.18707 200.8
[M+CH3COO]- 415.20272 197.5
[M+Na-2H]- 377.16354 190.7
[M]+ 356.18832 181.8
[M]- 356.18942 181.8
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.