CID 500933

Chembl64347

Structural Information

Molecular Formula
C20H16N4O3
SMILES
CCOC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)NC(=N3)C4=CC=CC=N4
InChI
InChI=1S/C20H16N4O3/c1-2-27-13-8-6-12(7-9-13)22-15-11-16(25)17-18(19(15)26)24-20(23-17)14-5-3-4-10-21-14/h3-11,22H,2H2,1H3,(H,23,24)
InChIKey
UTXDUPPCCLXJIG-UHFFFAOYSA-N
Compound name
6-(4-ethoxyanilino)-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.12225 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 184.4
[M+Na]+ 383.11147 193.1
[M-H]- 359.11497 190.6
[M+NH4]+ 378.15607 194.4
[M+K]+ 399.08541 186.2
[M+H-H2O]+ 343.11951 173.5
[M+HCOO]- 405.12045 203.4
[M+CH3COO]- 419.13610 194.0
[M+Na-2H]- 381.09692 187.6
[M]+ 360.12170 184.8
[M]- 360.12280 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.