CID 135754399

2-(p-chlorostyryl)pyrido(2,3-d)pyrimidin-4(3h)-one

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05852 162.6
[M+Na]+ 306.04046 173.8
[M-H]- 282.04396 164.8
[M+NH4]+ 301.08506 175.4
[M+K]+ 322.01440 165.1
[M+H-H2O]+ 266.04850 153.1
[M+HCOO]- 328.04944 176.5
[M+CH3COO]- 342.06509 173.5
[M+Na-2H]- 304.02591 170.0
[M]+ 283.05069 163.4
[M]- 283.05179 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.