CID 497631

Schembl9562327

Structural Information

Molecular Formula
C26H38N2O
SMILES
CN(C)C1=CC=C(C=C1)C(C2C3CC4CC(C3)CC2C4)(C56CCCN5CCC6)O
InChI
InChI=1S/C26H38N2O/c1-27(2)23-7-5-22(6-8-23)26(29,25-9-3-11-28(25)12-4-10-25)24-20-14-18-13-19(16-20)17-21(24)15-18/h5-8,18-21,24,29H,3-4,9-17H2,1-2H3
InChIKey
GPJLCUHHIYGSES-UHFFFAOYSA-N
Compound name
2-adamantyl-[4-(dimethylamino)phenyl]-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

394.2984 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.30568 188.1
[M+Na]+ 417.28762 185.3
[M-H]- 393.29112 187.2
[M+NH4]+ 412.33222 207.8
[M+K]+ 433.26156 179.8
[M+H-H2O]+ 377.29566 179.0
[M+HCOO]- 439.29660 187.8
[M+CH3COO]- 453.31225 192.2
[M+Na-2H]- 415.27307 189.4
[M]+ 394.29785 183.8
[M]- 394.29895 183.8
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.