CID 500932

Chembl63435

Structural Information

Molecular Formula
C19H14N4O3
SMILES
COC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)NC(=N3)C4=CC=CC=N4
InChI
InChI=1S/C19H14N4O3/c1-26-12-7-5-11(6-8-12)21-14-10-15(24)16-17(18(14)25)23-19(22-16)13-4-2-3-9-20-13/h2-10,21H,1H3,(H,22,23)
InChIKey
GOKMROPXOYRDOI-UHFFFAOYSA-N
Compound name
6-(4-methoxyanilino)-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1066 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11388 180.1
[M+Na]+ 369.09582 189.3
[M-H]- 345.09932 186.5
[M+NH4]+ 364.14042 190.6
[M+K]+ 385.06976 182.5
[M+H-H2O]+ 329.10386 169.4
[M+HCOO]- 391.10480 199.4
[M+CH3COO]- 405.12045 190.1
[M+Na-2H]- 367.08127 183.7
[M]+ 346.10605 180.2
[M]- 346.10715 180.2
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.