CID 360824

Nsc623241

Structural Information

Molecular Formula
C18H28N4O
SMILES
CCCCN(CCCC)CCCN1C=NC2=C(C1=O)C=CC=N2
InChI
InChI=1S/C18H28N4O/c1-3-5-11-21(12-6-4-2)13-8-14-22-15-20-17-16(18(22)23)9-7-10-19-17/h7,9-10,15H,3-6,8,11-14H2,1-2H3
InChIKey
PFLBXUFECVABME-UHFFFAOYSA-N
Compound name
3-[3-(dibutylamino)propyl]pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

316.22632 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23360 179.8
[M+Na]+ 339.21554 186.0
[M-H]- 315.21904 180.4
[M+NH4]+ 334.26014 191.7
[M+K]+ 355.18948 181.6
[M+H-H2O]+ 299.22358 169.1
[M+HCOO]- 361.22452 198.9
[M+CH3COO]- 375.24017 215.6
[M+Na-2H]- 337.20099 184.7
[M]+ 316.22577 185.0
[M]- 316.22687 185.0
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.