CID 365171

Nsc632381

Structural Information

Molecular Formula
C18H23NO
SMILES
COC1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H23NO/c1-20-17-4-2-13(3-5-17)12-19-18-9-14-6-15(10-18)8-16(7-14)11-18/h2-5,12,14-16H,6-11H2,1H3
InChIKey
CIJYMDAJQWMQSG-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(4-methoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

269.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 160.5
[M+Na]+ 292.16720 162.2
[M-H]- 268.17070 159.9
[M+NH4]+ 287.21180 183.8
[M+K]+ 308.14114 158.0
[M+H-H2O]+ 252.17524 151.4
[M+HCOO]- 314.17618 170.1
[M+CH3COO]- 328.19183 168.9
[M+Na-2H]- 290.15265 171.2
[M]+ 269.17743 161.1
[M]- 269.17853 161.1
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

patents stripe