CID 3052352

Brn 5660811

Structural Information

Molecular Formula
C23H25N5O4
SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CCC(=O)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C23H25N5O4/c1-2-27-15-18(22(31)32)20(30)17-14-24-23(25-21(17)27)28-12-10-26(11-13-28)9-8-19(29)16-6-4-3-5-7-16/h3-7,14-15H,2,8-13H2,1H3,(H,31,32)
InChIKey
PVSKUGAIGVRYEH-UHFFFAOYSA-N
Compound name
8-ethyl-5-oxo-2-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.19064 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.19792 207.2
[M+Na]+ 458.17986 212.6
[M-H]- 434.18336 208.9
[M+NH4]+ 453.22446 208.8
[M+K]+ 474.15380 205.7
[M+H-H2O]+ 418.18790 193.6
[M+HCOO]- 480.18884 215.5
[M+CH3COO]- 494.20449 212.3
[M+Na-2H]- 456.16531 207.0
[M]+ 435.19009 205.6
[M]- 435.19119 205.6
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.