CID 454431

Bdbm1344

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂N₃O₂

SMILES

CC1=CC(=C(C(=O)N1)NCC2=NC3=C(C=CC(=C3O2)Cl)Cl)C

InChI

InChI=1S/C15H13Cl2N3O2/c1-7-5-8(2)19-15(21)12(7)18-6-11-20-13-9(16)3-4-10(17)14(13)22-11/h3-5,18H,6H2,1-2H3,(H,19,21)

InChIKey

WLRKCGBECWLZJJ-UHFFFAOYSA-N

Compound name

3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methylamino]-4,6-dimethyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 337.03848 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.045756	175.8
[M+Na]+	360.027698	189.5
[M-H]-	336.031204	180.9
[M+NH4]+	355.072303	189.6
[M+K]+	376.001638	182.4
[M+H-H2O]+	320.035740	168.6
[M+HCOO]-	382.036681	188.1
[M+CH3COO]-	396.052331	187.6
[M+Na-2H]-	358.013146	179.1
[M]+	337.03793142	183.0
[M]-	337.03902858	183.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.