CID 11666844

[3-(imidazol-1-ylmethyl)benzofuran-2-yl]-phenyl-methanone oxime

Structural Information

Molecular Formula
C19H15N3O2
SMILES
C1=CC=C(C=C1)/C(=N\O)/C2=C(C3=CC=CC=C3O2)CN4C=CN=C4
InChI
InChI=1S/C19H15N3O2/c23-21-18(14-6-2-1-3-7-14)19-16(12-22-11-10-20-13-22)15-8-4-5-9-17(15)24-19/h1-11,13,23H,12H2/b21-18+
InChIKey
AHLIYLGTDYWUHP-DYTRJAOYSA-N
Compound name
(NE)-N-[[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.11642 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 171.4
[M+Na]+ 340.10564 180.1
[M-H]- 316.10914 181.2
[M+NH4]+ 335.15024 185.5
[M+K]+ 356.07958 175.9
[M+H-H2O]+ 300.11368 162.2
[M+HCOO]- 362.11462 195.2
[M+CH3COO]- 376.13027 183.5
[M+Na-2H]- 338.09109 175.8
[M]+ 317.11587 174.6
[M]- 317.11697 174.6
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.