CID 501677

1-[(2-chloro-3,4-dimethoxybenzylidene)amino]adamantane

Structural Information

Molecular Formula
C19H24ClNO2
SMILES
COC1=C(C(=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3)Cl)OC
InChI
InChI=1S/C19H24ClNO2/c1-22-16-4-3-15(17(20)18(16)23-2)11-21-19-8-12-5-13(9-19)7-14(6-12)10-19/h3-4,11-14H,5-10H2,1-2H3
InChIKey
CSSTZTPFKUKKJO-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(2-chloro-3,4-dimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14957 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15685 177.5
[M+Na]+ 356.13879 181.2
[M-H]- 332.14229 177.0
[M+NH4]+ 351.18339 199.7
[M+K]+ 372.11273 176.3
[M+H-H2O]+ 316.14683 169.7
[M+HCOO]- 378.14777 182.5
[M+CH3COO]- 392.16342 185.4
[M+Na-2H]- 354.12424 186.0
[M]+ 333.14902 182.8
[M]- 333.15012 182.8
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.