CID 9570789

Brn 0445154

Structural Information

Molecular Formula
C21H14ClN3O2
SMILES
C1=CC=C(C=C1)C2=C(OC3=C2C=CC(=C3)Cl)/C=N/NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C21H14ClN3O2/c22-16-6-7-17-18(12-16)27-19(20(17)14-4-2-1-3-5-14)13-24-25-21(26)15-8-10-23-11-9-15/h1-13H,(H,25,26)/b24-13+
InChIKey
UYUMANYNEHXENE-ZMOGYAJESA-N
Compound name
N-[(E)-(6-chloro-3-phenyl-1-benzofuran-2-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.07745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08473 189.0
[M+Na]+ 398.06667 198.6
[M-H]- 374.07017 200.7
[M+NH4]+ 393.11127 201.6
[M+K]+ 414.04061 192.5
[M+H-H2O]+ 358.07471 179.1
[M+HCOO]- 420.07565 210.4
[M+CH3COO]- 434.09130 200.4
[M+Na-2H]- 396.05212 194.7
[M]+ 375.07690 194.6
[M]- 375.07800 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.