CID 9579225

1-(1-adamantyl)-n-(3-morpholinoprop-1-ynoxy)-1-(p-tolyl)methanimine

Structural Information

Molecular Formula
C25H32N2O2
SMILES
CC1=CC=C(C=C1)/C(=N\OC#CCN2CCOCC2)/C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C25H32N2O2/c1-19-3-5-23(6-4-19)24(26-29-10-2-7-27-8-11-28-12-9-27)25-16-20-13-21(17-25)15-22(14-20)18-25/h3-6,20-22H,7-9,11-18H2,1H3/b26-24+
InChIKey
RGCZAFKILIZEAB-SHHOIMCASA-N
Compound name
(Z)-1-(1-adamantyl)-1-(4-methylphenyl)-N-(3-morpholin-4-ylprop-1-ynoxy)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.24637 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.25365 187.2
[M+Na]+ 415.23559 190.1
[M-H]- 391.23909 185.3
[M+NH4]+ 410.28019 200.4
[M+K]+ 431.20953 177.5
[M+H-H2O]+ 375.24363 170.6
[M+HCOO]- 437.24457 185.5
[M+CH3COO]- 451.26022 190.6
[M+Na-2H]- 413.22104 192.0
[M]+ 392.24582 179.5
[M]- 392.24692 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.