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

0
Patents

322.26202 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.26930 179.6
[M+Na]+ 345.25124 176.9
[M-H]- 321.25474 171.7
[M+NH4]+ 340.29584 196.5
[M+K]+ 361.22518 173.2
[M+H-H2O]+ 305.25928 169.4
[M+HCOO]- 367.26022 176.9
[M+CH3COO]- 381.27587 183.1
[M+Na-2H]- 343.23669 184.4
[M]+ 322.26147 176.1
[M]- 322.26257 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.