CID 9579220

1-(1-adamantyl)-n-(3-morpholinoprop-1-ynoxy)-1-phenyl-methanimine

Structural Information

Molecular Formula
C24H30N2O2
SMILES
C1COCCN1CC#CO/N=C(\C2=CC=CC=C2)/C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C24H30N2O2/c1-2-5-22(6-3-1)23(25-28-10-4-7-26-8-11-27-12-9-26)24-16-19-13-20(17-24)15-21(14-19)18-24/h1-3,5-6,19-21H,7-9,11-18H2/b25-23+
InChIKey
DXHRMEATVWEUBH-WJTDDFOZSA-N
Compound name
(Z)-1-(1-adamantyl)-N-(3-morpholin-4-ylprop-1-ynoxy)-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.23074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.23802 181.6
[M+Na]+ 401.21996 184.2
[M-H]- 377.22346 179.7
[M+NH4]+ 396.26456 195.1
[M+K]+ 417.19390 171.6
[M+H-H2O]+ 361.22800 165.0
[M+HCOO]- 423.22894 180.3
[M+CH3COO]- 437.24459 185.2
[M+Na-2H]- 399.20541 187.6
[M]+ 378.23019 173.4
[M]- 378.23129 173.4
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.