CID 11717299

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

Structural Information

Molecular Formula
C19H14ClN3O2
SMILES
C1=CC=C2C(=C1)C(=C(O2)/C(=N/O)/C3=CC=C(C=C3)Cl)CN4C=CN=C4
InChI
InChI=1S/C19H14ClN3O2/c20-14-7-5-13(6-8-14)18(22-24)19-16(11-23-10-9-21-12-23)15-3-1-2-4-17(15)25-19/h1-10,12,24H,11H2/b22-18+
InChIKey
ZQVUNYAKEAMSJV-RELWKKBWSA-N
Compound name
(NE)-N-[(4-chlorophenyl)-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.07745 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08473 181.1
[M+Na]+ 374.06667 191.4
[M-H]- 350.07017 190.9
[M+NH4]+ 369.11127 195.0
[M+K]+ 390.04061 185.7
[M+H-H2O]+ 334.07471 172.1
[M+HCOO]- 396.07565 200.1
[M+CH3COO]- 410.09130 192.9
[M+Na-2H]- 372.05212 184.0
[M]+ 351.07690 187.0
[M]- 351.07800 187.0
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.