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 238.2
[M+Na]+ 584.20352 256.0
[M+NH4]+ 579.24812 242.2
[M+K]+ 600.17746 246.4
[M-H]- 560.20702 243.8
[M+Na-2H]- 582.18897 245.6
[M]+ 561.21375 242.6
[M]- 561.21485 242.6
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.