CID 11574568

[5-chloro-3-(imidazol-1-ylmethyl)benzofuran-2-yl]-(4-chlorophenyl)methanone oxime

Structural Information

Molecular Formula
C19H13Cl2N3O2
SMILES
C1=CC(=CC=C1/C(=N\O)/C2=C(C3=C(O2)C=CC(=C3)Cl)CN4C=CN=C4)Cl
InChI
InChI=1S/C19H13Cl2N3O2/c20-13-3-1-12(2-4-13)18(23-25)19-16(10-24-8-7-22-11-24)15-9-14(21)5-6-17(15)26-19/h1-9,11,25H,10H2/b23-18+
InChIKey
DKLLIPLKYCHKDK-PTGBLXJZSA-N
Compound name
(NE)-N-[[5-chloro-3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-(4-chlorophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.03848 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.04576 189.5
[M+Na]+ 408.02770 200.9
[M-H]- 384.03120 198.7
[M+NH4]+ 403.07230 202.7
[M+K]+ 424.00164 194.3
[M+H-H2O]+ 368.03574 180.7
[M+HCOO]- 430.03668 203.1
[M+CH3COO]- 444.05233 200.6
[M+Na-2H]- 406.01315 190.6
[M]+ 385.03793 197.0
[M]- 385.03903 197.0
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.