CID 5493622

1-[5-(4-chlorophenyl)-6-cyano-2,4-dioxo-1h-pyrido[2,3-d]pyrimidin-7-yl]-3-phenyl-urea

Structural Information

Molecular Formula
C21H13ClN6O3
SMILES
C1=CC=C(C=C1)NC(=O)NC2=NC3=C(C(=C2C#N)C4=CC=C(C=C4)Cl)C(=O)NC(=O)N3
InChI
InChI=1S/C21H13ClN6O3/c22-12-8-6-11(7-9-12)15-14(10-23)17(25-18-16(15)19(29)28-21(31)27-18)26-20(30)24-13-4-2-1-3-5-13/h1-9H,(H4,24,25,26,27,28,29,30,31)
InChIKey
ASQLREGBJFZWLA-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)-6-cyano-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-7-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.07376 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.08104 206.9
[M+Na]+ 455.06298 217.7
[M-H]- 431.06648 208.6
[M+NH4]+ 450.10758 210.6
[M+K]+ 471.03692 207.1
[M+H-H2O]+ 415.07102 189.5
[M+HCOO]- 477.07196 216.3
[M+CH3COO]- 491.08761 212.1
[M+Na-2H]- 453.04843 209.5
[M]+ 432.07321 200.9
[M]- 432.07431 200.9
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.