CID 9579223

1-(1-adamantyl)-n-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]ethanimine

Structural Information

Molecular Formula
C20H31N3O
SMILES
C/C(=N\OC#CCN1CCN(CC1)C)/C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H31N3O/c1-16(20-13-17-10-18(14-20)12-19(11-17)15-20)21-24-9-3-4-23-7-5-22(2)6-8-23/h17-19H,4-8,10-15H2,1-2H3/b21-16+
InChIKey
YTQKKUFYXXCRAO-LTGZKZEYSA-N
Compound name
(E)-1-(1-adamantyl)-N-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.2467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.25398 175.6
[M+Na]+ 352.23592 178.6
[M-H]- 328.23942 170.1
[M+NH4]+ 347.28052 191.7
[M+K]+ 368.20986 166.9
[M+H-H2O]+ 312.24396 160.6
[M+HCOO]- 374.24490 173.7
[M+CH3COO]- 388.26055 179.4
[M+Na-2H]- 350.22137 180.5
[M]+ 329.24615 167.7
[M]- 329.24725 167.7
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.