CID 3073204

147296-98-8

Structural Information

Molecular Formula
C25H30ClN5O3S
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N=C(N(C2=O)C)SCCCN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C25H30ClN5O3S/c1-4-34-24(33)20-15-17(2)27-22-21(20)23(32)29(3)25(28-22)35-14-6-9-30-10-12-31(13-11-30)19-8-5-7-18(26)16-19/h5,7-8,15-16H,4,6,9-14H2,1-3H3
InChIKey
DEAJGZDOEORGFK-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-3,7-dimethyl-4-oxopyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.1758 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.18308 224.4
[M+Na]+ 538.16502 240.1
[M+NH4]+ 533.20962 229.3
[M+K]+ 554.13896 229.4
[M-H]- 514.16852 227.9
[M+Na-2H]- 536.15047 229.7
[M]+ 515.17525 228.4
[M]- 515.17635 228.4
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.