CID 209355

Brn 0457681

Structural Information

Molecular Formula
C21H16N2O6
SMILES
COC1=C(C=CC(=C1)C(=O)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C21H16N2O6/c1-27-19-10-14(17(24)13-28-20(25)15-4-2-8-22-11-15)6-7-18(19)29-21(26)16-5-3-9-23-12-16/h2-12H,13H2,1H3
InChIKey
LIBWKUORUVCMDA-UHFFFAOYSA-N
Compound name
[2-[3-methoxy-4-(pyridine-3-carbonyloxy)phenyl]-2-oxoethyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10083 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.10811 188.6
[M+Na]+ 415.09005 202.4
[M+NH4]+ 410.13465 192.9
[M+K]+ 431.06399 197.1
[M-H]- 391.09355 191.5
[M+Na-2H]- 413.07550 197.4
[M]+ 392.10028 191.2
[M]- 392.10138 191.2
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.