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 204.5
[M+Na]+ 447.13152 215.5
[M-H]- 423.13502 215.4
[M+NH4]+ 442.17612 213.9
[M+K]+ 463.10546 210.1
[M+H-H2O]+ 407.13956 193.1
[M+HCOO]- 469.14050 223.4
[M+CH3COO]- 483.15615 214.8
[M+Na-2H]- 445.11697 206.8
[M]+ 424.14175 211.5
[M]- 424.14285 211.5
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.