CID 497628

2-adamantyl-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-(4-phenylphenyl)methanol

Structural Information

Molecular Formula
C30H37NO
SMILES
C1CC2(CCCN2C1)C(C3C4CC5CC(C4)CC3C5)(C6=CC=C(C=C6)C7=CC=CC=C7)O
InChI
InChI=1S/C30H37NO/c32-30(29-12-4-14-31(29)15-5-13-29,28-25-17-21-16-22(19-25)20-26(28)18-21)27-10-8-24(9-11-27)23-6-2-1-3-7-23/h1-3,6-11,21-22,25-26,28,32H,4-5,12-20H2
InChIKey
GJXYZIVKHZOUOO-UHFFFAOYSA-N
Compound name
2-adamantyl-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-(4-phenylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.2875 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.29478 191.8
[M+Na]+ 450.27672 189.3
[M-H]- 426.28022 192.9
[M+NH4]+ 445.32132 209.2
[M+K]+ 466.25066 181.5
[M+H-H2O]+ 410.28476 180.5
[M+HCOO]- 472.28570 190.4
[M+CH3COO]- 486.30135 195.3
[M+Na-2H]- 448.26217 192.4
[M]+ 427.28695 185.6
[M]- 427.28805 185.6
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

No patent data available for this compound.