CID 90244

23743-30-8

Structural Information

Molecular Formula
C28H18N2O6
SMILES
COC(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C4=CC=CC=C43)C5=NC6=C(O5)C=CC(=C6)C(=O)OC
InChI
InChI=1S/C28H18N2O6/c1-33-27(31)15-7-11-23-21(13-15)29-25(35-23)19-9-10-20(18-6-4-3-5-17(18)19)26-30-22-14-16(28(32)34-2)8-12-24(22)36-26/h3-14H,1-2H3
InChIKey
GHSQUTFRTKIVBU-UHFFFAOYSA-N
Compound name
methyl 2-[4-(5-methoxycarbonyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1165 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.12378 211.5
[M+Na]+ 501.10572 229.8
[M+NH4]+ 496.15032 218.1
[M+K]+ 517.07966 226.2
[M-H]- 477.10922 219.9
[M+Na-2H]- 499.09117 218.3
[M]+ 478.11595 216.8
[M]- 478.11705 216.8
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.