CID 1389021

Chembl425205

Structural Information

Molecular Formula
C19H12ClN3O3
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC(=C(C=C2)O)C3=NC4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C19H12ClN3O3/c20-12-3-6-17-15(8-12)23-19(26-17)14-9-13(4-5-16(14)24)22-18(25)11-2-1-7-21-10-11/h1-10,24H,(H,22,25)
InChIKey
WIHRFNNSKIZHAF-UHFFFAOYSA-N
Compound name
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

365.05673 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06401 182.6
[M+Na]+ 388.04595 193.4
[M-H]- 364.04945 191.2
[M+NH4]+ 383.09055 193.4
[M+K]+ 404.01989 187.3
[M+H-H2O]+ 348.05399 173.1
[M+HCOO]- 410.05493 199.4
[M+CH3COO]- 424.07058 193.6
[M+Na-2H]- 386.03140 187.6
[M]+ 365.05618 187.7
[M]- 365.05728 187.7
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

patents stripe