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-phenylmethoxy-2-pyridinyl)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]+ 406.150976 193.5
[M+Na]+ 428.132918 196.8
[M-H]- 404.136424 201.0
[M+NH4]+ 423.177523 200.0
[M+K]+ 444.106858 193.3
[M+H-H2O]+ 388.140960 182.1
[M+HCOO]- 450.141901 216.5
[M+CH3COO]- 464.157551 232.9
[M+Na-2H]- 426.118366 195.5
[M]+ 405.14315142 190.9
[M]- 405.14424858 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.