CID 3052353

68689-96-3

Structural Information

Molecular Formula
C25H28N6O5
SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CCC(=O)C4=CC=C(C=C4)NC(=O)C)C(=O)O
InChI
InChI=1S/C25H28N6O5/c1-3-30-15-20(24(35)36)22(34)19-14-26-25(28-23(19)30)31-12-10-29(11-13-31)9-8-21(33)17-4-6-18(7-5-17)27-16(2)32/h4-7,14-15H,3,8-13H2,1-2H3,(H,27,32)(H,35,36)
InChIKey
MTRBFJNLINKVQN-UHFFFAOYSA-N
Compound name
2-[4-[3-(4-acetamidophenyl)-3-oxopropyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.21213 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.21941 216.1
[M+Na]+ 515.20135 227.6
[M+NH4]+ 510.24595 217.6
[M+K]+ 531.17529 223.5
[M-H]- 491.20485 217.4
[M+Na-2H]- 513.18680 219.8
[M]+ 492.21158 217.6
[M]- 492.21268 217.6
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.