CID 118984359

Bicyclophenamine

Structural Information

Molecular Formula
C20H27NO2
SMILES
C1CCN(C1)CCOC(=O)C2(C[C@@H]3CC[C@H]2C3)C4=CC=CC=C4
InChI
InChI=1S/C20H27NO2/c22-19(23-13-12-21-10-4-5-11-21)20(17-6-2-1-3-7-17)15-16-8-9-18(20)14-16/h1-3,6-7,16,18H,4-5,8-15H2/t16-,18+,20?/m1/s1
InChIKey
SQZCNGDPQFCFMO-MARPTJLWSA-N
Compound name
2-pyrrolidin-1-ylethyl (1S,4R)-2-phenylbicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

313.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 180.1
[M+Na]+ 336.19342 183.5
[M-H]- 312.19692 187.0
[M+NH4]+ 331.23802 201.2
[M+K]+ 352.16736 179.6
[M+H-H2O]+ 296.20146 172.8
[M+HCOO]- 358.20240 197.0
[M+CH3COO]- 372.21805 189.8
[M+Na-2H]- 334.17887 176.8
[M]+ 313.20365 177.4
[M]- 313.20475 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe