CID 9836739

Pnu-74654

Structural Information

Molecular Formula
C19H16N2O3
SMILES
CC1=CC=C(O1)/C=N/NC(=O)C2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C19H16N2O3/c1-14-11-12-16(23-14)13-20-21-19(22)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13H,1H3,(H,21,22)/b20-13+
InChIKey
JJEDWBQZCRESJL-DEDYPNTBSA-N
Compound name
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

344
Patents

320.1161 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 176.5
[M+Na]+ 343.10532 189.8
[M+NH4]+ 338.14992 184.0
[M+K]+ 359.07926 184.0
[M-H]- 319.10882 184.6
[M+Na-2H]- 341.09077 186.1
[M]+ 320.11555 180.6
[M]- 320.11665 180.6
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

patents stripe