CID 3064553

104964-55-8

Structural Information

Molecular Formula
C23H28N8O3
SMILES
CCN1CCC(=O)C2=CN=C(N=C21)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC
InChI
InChI=1S/C23H28N8O3/c1-4-29-6-5-17(32)15-13-25-22(28-21(15)29)30-7-9-31(10-8-30)23-26-16-12-19(34-3)18(33-2)11-14(16)20(24)27-23/h11-13H,4-10H2,1-3H3,(H2,24,26,27)
InChIKey
PHWOKTRXELSKHJ-UHFFFAOYSA-N
Compound name
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-8-ethyl-6,7-dihydropyrido[2,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.22842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23570 218.4
[M+Na]+ 487.21764 232.8
[M+NH4]+ 482.26224 222.1
[M+K]+ 503.19158 226.1
[M-H]- 463.22114 221.6
[M+Na-2H]- 485.20309 222.2
[M]+ 464.22787 221.1
[M]- 464.22897 221.1
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.