CID 64257

Brn 2120834

Structural Information

Molecular Formula
C22H41NO2
SMILES
CCC(C)N(CC(COCC12CC3CC(C1)CC(C3)C2)O)C(C)CC
InChI
InChI=1S/C22H41NO2/c1-5-16(3)23(17(4)6-2)13-21(24)14-25-15-22-10-18-7-19(11-22)9-20(8-18)12-22/h16-21,24H,5-15H2,1-4H3
InChIKey
HFDZAMYXLQSMOA-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-[di(butan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.31372 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.320996 197.5
[M+Na]+ 374.302938 193.0
[M-H]- 350.306444 190.0
[M+NH4]+ 369.347543 216.4
[M+K]+ 390.276878 191.0
[M+H-H2O]+ 334.310980 190.6
[M+HCOO]- 396.311921 198.0
[M+CH3COO]- 410.327571 228.4
[M+Na-2H]- 372.288386 199.3
[M]+ 351.31317142 199.2
[M]- 351.31426858 199.2
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.