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]+ 245.139696 157.4
[M+Na]+ 267.121638 164.8
[M-H]- 243.125144 158.6
[M+NH4]+ 262.166243 169.7
[M+K]+ 283.095578 159.8
[M+H-H2O]+ 227.129680 146.2
[M+HCOO]- 289.130621 172.2
[M+CH3COO]- 303.146271 167.3
[M+Na-2H]- 265.107086 164.3
[M]+ 244.13187142 153.8
[M]- 244.13296858 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.