CID 64252

27865-88-9

Structural Information

Molecular Formula
C19H34N2O2
SMILES
CN1CCN(CC1)CC(COCC23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C19H34N2O2/c1-20-2-4-21(5-3-20)12-18(22)13-23-14-19-9-15-6-16(10-19)8-17(7-15)11-19/h15-18,22H,2-14H2,1H3
InChIKey
MUIVNIJTCWTXKZ-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.26202 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.269296 179.6
[M+Na]+ 345.251238 176.9
[M-H]- 321.254744 171.7
[M+NH4]+ 340.295843 196.5
[M+K]+ 361.225178 173.2
[M+H-H2O]+ 305.259280 169.4
[M+HCOO]- 367.260221 176.9
[M+CH3COO]- 381.275871 183.1
[M+Na-2H]- 343.236686 184.4
[M]+ 322.26147142 176.1
[M]- 322.26256858 176.1
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.