CID 11689958

Chembl201452

Structural Information

Molecular Formula
C21H19N5O4
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)N)C(=O)N
InChI
InChI=1S/C21H19N5O4/c22-18(27)14-9-15(19(23)28)11-16(10-14)25-21(29)26-20-17(7-4-8-24-20)30-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,22,27)(H2,23,28)(H2,24,25,26,29)
InChIKey
CXHFJXDBNWSCJH-UHFFFAOYSA-N
Compound name
5-[(3-phenylmethoxypyridin-2-yl)carbamoylamino]benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.1437 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15098 193.5
[M+Na]+ 428.13292 196.8
[M-H]- 404.13642 201.0
[M+NH4]+ 423.17752 200.0
[M+K]+ 444.10686 193.3
[M+H-H2O]+ 388.14096 182.1
[M+HCOO]- 450.14190 216.5
[M+CH3COO]- 464.15755 232.9
[M+Na-2H]- 426.11837 195.5
[M]+ 405.14315 190.9
[M]- 405.14425 190.9
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.