CID 45054461

599166-45-7

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CO3
InChI
InChI=1S/C20H18N2O3/c1-15-4-6-16(7-5-15)14-25-18-10-8-17(9-11-18)20(23)22-21-13-19-3-2-12-24-19/h2-13H,14H2,1H3,(H,22,23)/b21-13+
InChIKey
QKDSTTLEMOXLFU-FYJGNVAPSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13174 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 179.4
[M+Na]+ 357.12096 185.3
[M-H]- 333.12446 191.2
[M+NH4]+ 352.16556 193.0
[M+K]+ 373.09490 182.5
[M+H-H2O]+ 317.12900 170.0
[M+HCOO]- 379.12994 206.5
[M+CH3COO]- 393.14559 214.7
[M+Na-2H]- 355.10641 183.5
[M]+ 334.13119 182.6
[M]- 334.13229 182.6
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.