CID 135754399

101204-97-1

Structural Information

Molecular Formula

C₁₅H₁₀ClN₃O

SMILES

C1=CC2=C(N=C1)N=C(NC2=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H10ClN3O/c16-11-6-3-10(4-7-11)5-8-13-18-14-12(15(20)19-13)2-1-9-17-14/h1-9H,(H,17,18,19,20)/b8-5+

InChIKey

KRUJYTGWDRLROP-VMPITWQZSA-N

Compound name

2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.05124 Da
Monoisotopic Mass: 2.7
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]+	284.058516	162.6
[M+Na]+	306.040458	173.8
[M-H]-	282.043964	164.8
[M+NH4]+	301.085063	175.4
[M+K]+	322.014398	165.1
[M+H-H2O]+	266.048500	153.1
[M+HCOO]-	328.049441	176.5
[M+CH3COO]-	342.065091	173.5
[M+Na-2H]-	304.025906	170.0
[M]+	283.05069142	163.4
[M]-	283.05178858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.