CID 3064559

104964-63-8

Structural Information

Molecular Formula
C23H28N8O3
SMILES
CC(C)N1CC2=NC(=NC=C2C1=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC
InChI
InChI=1S/C23H28N8O3/c1-13(2)31-12-17-15(21(31)32)11-25-22(27-17)29-5-7-30(8-6-29)23-26-16-10-19(34-4)18(33-3)9-14(16)20(24)28-23/h9-11,13H,5-8,12H2,1-4H3,(H2,24,26,28)
InChIKey
OQAUDUUFRHDAPY-UHFFFAOYSA-N
Compound name
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.22842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23570 215.6
[M+Na]+ 487.21764 228.7
[M+NH4]+ 482.26224 219.1
[M+K]+ 503.19158 225.2
[M-H]- 463.22114 218.1
[M+Na-2H]- 485.20309 218.5
[M]+ 464.22787 217.9
[M]- 464.22897 217.9
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.