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]+ 318.123696 171.4
[M+Na]+ 340.105638 180.1
[M-H]- 316.109144 181.2
[M+NH4]+ 335.150243 185.5
[M+K]+ 356.079578 175.9
[M+H-H2O]+ 300.113680 162.2
[M+HCOO]- 362.114621 195.2
[M+CH3COO]- 376.130271 183.5
[M+Na-2H]- 338.091086 175.8
[M]+ 317.11587142 174.6
[M]- 317.11696858 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.