CID 64308

Brn 2888140

Structural Information

Molecular Formula
C26H44N2O2
SMILES
CN(CCO)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)N(C)CCO
InChI
InChI=1S/C26H44N2O2/c1-27(3-5-29)25-13-19-7-20(14-25)10-23(9-19,17-25)24-11-21-8-22(12-24)16-26(15-21,18-24)28(2)4-6-30/h19-22,29-30H,3-18H2,1-2H3
InChIKey
HFBVTKIGNOOOLK-UHFFFAOYSA-N
Compound name
2-[[3-[3-[2-hydroxyethyl(methyl)amino]-1-adamantyl]-1-adamantyl]-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.34027 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.34755 217.6
[M+Na]+ 439.32949 220.0
[M+NH4]+ 434.37409 232.8
[M+K]+ 455.30343 205.0
[M-H]- 415.33299 213.9
[M+Na-2H]- 437.31494 207.3
[M]+ 416.33972 217.2
[M]- 416.34082 217.2
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.