CID 13338194

Pyrido(2,3-d)pyrimidin-4(3h)-one, 3-(1-piperidinylmethyl)-, oxalate

Structural Information

Molecular Formula
C13H16N4O
SMILES
C1CCN(CC1)CN2C=NC3=C(C2=O)C=CC=N3
InChI
InChI=1S/C13H16N4O/c18-13-11-5-4-6-14-12(11)15-9-17(13)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2
InChIKey
STCVIYNCIKPNCS-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.13242 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 157.4
[M+Na]+ 267.12164 164.8
[M-H]- 243.12514 158.6
[M+NH4]+ 262.16624 169.7
[M+K]+ 283.09558 159.8
[M+H-H2O]+ 227.12968 146.2
[M+HCOO]- 289.13062 172.2
[M+CH3COO]- 303.14627 167.3
[M+Na-2H]- 265.10709 164.3
[M]+ 244.13187 153.8
[M]- 244.13297 153.8
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.