CID 15957494

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

Structural Information

Molecular Formula
C27H25NO2
SMILES
CC1(CC(C1)/C(=N/OCC2=CC=CC=C2)/C3=CC4=CC=CC=C4O3)C5=CC=CC=C5
InChI
InChI=1S/C27H25NO2/c1-27(23-13-6-3-7-14-23)17-22(18-27)26(28-29-19-20-10-4-2-5-11-20)25-16-21-12-8-9-15-24(21)30-25/h2-16,22H,17-19H2,1H3/b28-26-
InChIKey
GKXNXRMVBPDTHI-SGEDCAFJSA-N
Compound name
(Z)-1-(1-benzofuran-2-yl)-1-(3-methyl-3-phenylcyclobutyl)-N-phenylmethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.18854 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19582 193.6
[M+Na]+ 418.17776 199.0
[M-H]- 394.18126 208.3
[M+NH4]+ 413.22236 201.3
[M+K]+ 434.15170 197.6
[M+H-H2O]+ 378.18580 178.4
[M+HCOO]- 440.18674 215.9
[M+CH3COO]- 454.20239 203.8
[M+Na-2H]- 416.16321 197.2
[M]+ 395.18799 204.7
[M]- 395.18909 204.7
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.