CID 742149

Mls000777115

Structural Information

Molecular Formula
C20H17NO4
SMILES
C1CCC2=C(C1)C3=C(O2)C=CC(=C3C=NC4=CC=C(C=C4)C(=O)O)O
InChI
InChI=1S/C20H17NO4/c22-16-9-10-18-19(14-3-1-2-4-17(14)25-18)15(16)11-21-13-7-5-12(6-8-13)20(23)24/h5-11,22H,1-4H2,(H,23,24)
InChIKey
LRXFKEUZIPSQTJ-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

335.11575 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12303 175.2
[M+Na]+ 358.10497 183.0
[M-H]- 334.10847 183.5
[M+NH4]+ 353.14957 190.2
[M+K]+ 374.07891 178.9
[M+H-H2O]+ 318.11301 167.8
[M+HCOO]- 380.11395 195.0
[M+CH3COO]- 394.12960 186.4
[M+Na-2H]- 356.09042 179.4
[M]+ 335.11520 176.5
[M]- 335.11630 176.5
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