CID 3629757

210639-99-9

Structural Information

Molecular Formula
C26H20N2O4
SMILES
CCC1=CC2=C(C=C1OC(=O)C3=CC=CC=C3)OC=C(C2=O)C4=NC5=CC=CC=C5N4C
InChI
InChI=1S/C26H20N2O4/c1-3-16-13-18-23(14-22(16)32-26(30)17-9-5-4-6-10-17)31-15-19(24(18)29)25-27-20-11-7-8-12-21(20)28(25)2/h4-15H,3H2,1-2H3
InChIKey
BSEUSDBTJQBXTB-UHFFFAOYSA-N
Compound name
[6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1423 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14958 202.2
[M+Na]+ 447.13152 221.3
[M+NH4]+ 442.17612 209.5
[M+K]+ 463.10546 214.0
[M-H]- 423.13502 210.0
[M+Na-2H]- 445.11697 211.1
[M]+ 424.14175 207.5
[M]- 424.14285 207.5
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.