CID 501512

Oprea1_529618

Structural Information

Molecular Formula
C19H25NO2
SMILES
COC1=C(C=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3)OC
InChI
InChI=1S/C19H25NO2/c1-21-17-4-3-13(8-18(17)22-2)12-20-19-9-14-5-15(10-19)7-16(6-14)11-19/h3-4,8,12,14-16H,5-7,9-11H2,1-2H3
InChIKey
SKSOGVQDJXWULT-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(3,4-dimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

299.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 168.8
[M+Na]+ 322.17776 170.7
[M-H]- 298.18126 168.2
[M+NH4]+ 317.22236 191.1
[M+K]+ 338.15170 167.1
[M+H-H2O]+ 282.18580 159.7
[M+HCOO]- 344.18674 178.1
[M+CH3COO]- 358.20239 176.8
[M+Na-2H]- 320.16321 178.6
[M]+ 299.18799 171.5
[M]- 299.18909 171.5
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.