CID 3073206

147297-04-9

Structural Information

Molecular Formula
C30H32ClN5O4
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5Cl
InChI
InChI=1S/C30H32ClN5O4/c1-3-40-29(38)23-20-21(2)32-27-26(23)28(37)36(22-10-5-4-6-11-22)30(39)35(27)15-9-14-33-16-18-34(19-17-33)25-13-8-7-12-24(25)31/h4-8,10-13,20H,3,9,14-19H2,1-2H3
InChIKey
YVGOKISJIUOQGY-UHFFFAOYSA-N
Compound name
ethyl 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-7-methyl-2,4-dioxo-3-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.2143 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.22158 240.0
[M+Na]+ 584.20352 247.0
[M-H]- 560.20702 245.7
[M+NH4]+ 579.24812 238.1
[M+K]+ 600.17746 237.9
[M+H-H2O]+ 544.21156 223.5
[M+HCOO]- 606.21250 244.3
[M+CH3COO]- 620.22815 243.8
[M+Na-2H]- 582.18897 237.0
[M]+ 561.21375 243.1
[M]- 561.21485 243.1
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.