CID 9579226

1-(1-adamantyl)-n-[(2,4-dichlorophenyl)methoxy]-1-phenyl-methanimine

Structural Information

Molecular Formula
C24H25Cl2NO
SMILES
C1C2CC3CC1CC(C2)(C3)/C(=N/OCC4=C(C=C(C=C4)Cl)Cl)/C5=CC=CC=C5
InChI
InChI=1S/C24H25Cl2NO/c25-21-7-6-20(22(26)11-21)15-28-27-23(19-4-2-1-3-5-19)24-12-16-8-17(13-24)10-18(9-16)14-24/h1-7,11,16-18H,8-10,12-15H2/b27-23+
InChIKey
HHIYKOTZCSBEDE-SLEBQGDGSA-N
Compound name
(Z)-1-(1-adamantyl)-N-[(2,4-dichlorophenyl)methoxy]-1-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.13132 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.13860 193.5
[M+Na]+ 436.12054 195.8
[M-H]- 412.12404 194.5
[M+NH4]+ 431.16514 211.8
[M+K]+ 452.09448 188.7
[M+H-H2O]+ 396.12858 183.9
[M+HCOO]- 458.12952 192.7
[M+CH3COO]- 472.14517 199.3
[M+Na-2H]- 434.10599 200.0
[M]+ 413.13077 197.1
[M]- 413.13187 197.1
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.