CID 15957495

(benzofuran-2-yl)(3-phenyl-3-methylcyclobutyl)-o-methylketoxime

Structural Information

Molecular Formula
C21H21NO2
SMILES
CC1(CC(C1)/C(=N/OC)/C2=CC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C21H21NO2/c1-21(17-9-4-3-5-10-17)13-16(14-21)20(22-23-2)19-12-15-8-6-7-11-18(15)24-19/h3-12,16H,13-14H2,1-2H3/b22-20-
InChIKey
XXRZRFGJLXSROP-XDOYNYLZSA-N
Compound name
(Z)-1-(1-benzofuran-2-yl)-N-methoxy-1-(3-methyl-3-phenylcyclobutyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.15723 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 172.6
[M+Na]+ 342.14645 179.2
[M-H]- 318.14995 185.2
[M+NH4]+ 337.19105 184.1
[M+K]+ 358.12039 179.3
[M+H-H2O]+ 302.15449 159.6
[M+HCOO]- 364.15543 195.9
[M+CH3COO]- 378.17108 184.7
[M+Na-2H]- 340.13190 177.6
[M]+ 319.15668 184.8
[M]- 319.15778 184.8
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.