CID 204314

3-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yloxy)-9-cyanomethyltropane hydrogen maleate

Structural Information

Molecular Formula
C24H26N2O
SMILES
C1CC2C(CCC1N2CC#N)OC3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C24H26N2O/c25-15-16-26-19-11-13-22(26)23(14-12-19)27-24-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)24/h1-8,19,22-24H,9-14,16H2
InChIKey
CEWUFYDXVSZWEU-UHFFFAOYSA-N
Compound name
2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octan-8-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21178 188.4
[M+Na]+ 381.19372 196.9
[M-H]- 357.19722 193.3
[M+NH4]+ 376.23832 202.4
[M+K]+ 397.16766 186.9
[M+H-H2O]+ 341.20176 175.5
[M+HCOO]- 403.20270 198.2
[M+CH3COO]- 417.21835 195.4
[M+Na-2H]- 379.17917 189.1
[M]+ 358.20395 178.8
[M]- 358.20505 178.8
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.