CID 460271

Win49611

Structural Information

Molecular Formula
C16H17N5O
SMILES
CCCCN1C=C(C(=O)C2=CN=C(N=C21)C3=CC=NC=C3)N
InChI
InChI=1S/C16H17N5O/c1-2-3-8-21-10-13(17)14(22)12-9-19-15(20-16(12)21)11-4-6-18-7-5-11/h4-7,9-10H,2-3,8,17H2,1H3
InChIKey
QHXQGYKSPLBDEL-UHFFFAOYSA-N
Compound name
6-amino-8-butyl-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

295.1433 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15058 172.5
[M+Na]+ 318.13252 182.8
[M-H]- 294.13602 174.8
[M+NH4]+ 313.17712 183.1
[M+K]+ 334.10646 175.9
[M+H-H2O]+ 278.14056 161.4
[M+HCOO]- 340.14150 191.1
[M+CH3COO]- 354.15715 182.7
[M+Na-2H]- 316.11797 179.2
[M]+ 295.14275 173.5
[M]- 295.14385 173.5
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

patents stripe