CID 2891744

6238-97-7

Structural Information

Molecular Formula
C20H16N2O5
SMILES
CCOC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H16N2O5/c1-2-25-18(23)11-26-13-8-7-12-9-14(20(24)27-17(12)10-13)19-21-15-5-3-4-6-16(15)22-19/h3-10H,2,11H2,1H3,(H,21,22)
InChIKey
MWLQLOUBNQLWKK-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(1H-benzimidazol-2-yl)-2-oxochromen-7-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10593 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11321 183.0
[M+Na]+ 387.09515 193.2
[M-H]- 363.09865 189.3
[M+NH4]+ 382.13975 194.3
[M+K]+ 403.06909 189.2
[M+H-H2O]+ 347.10319 173.6
[M+HCOO]- 409.10413 201.9
[M+CH3COO]- 423.11978 193.9
[M+Na-2H]- 385.08060 188.1
[M]+ 364.10538 189.9
[M]- 364.10648 189.9
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.