CID 9571570

Nsc683613

Structural Information

Molecular Formula
C17H15N5O4
SMILES
CN1C(=O)C2=C(NC1=O)N=CC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H15N5O4/c1-22-16(24)13-7-11(9-18-14(13)20-17(22)25)15(23)21-19-8-10-3-5-12(26-2)6-4-10/h3-9H,1-2H3,(H,21,23)(H,18,20,25)/b19-8+
InChIKey
GPCBYMAWJPGNSV-UFWORHAWSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1124 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11968 181.0
[M+Na]+ 376.10162 190.7
[M-H]- 352.10512 185.7
[M+NH4]+ 371.14622 190.3
[M+K]+ 392.07556 185.5
[M+H-H2O]+ 336.10966 170.2
[M+HCOO]- 398.11060 202.4
[M+CH3COO]- 412.12625 218.5
[M+Na-2H]- 374.08707 187.3
[M]+ 353.11185 183.9
[M]- 353.11295 183.9
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.