CID 3074690

6h-pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-1-((4-phenyl-1-piperazinyl)acetyl)-

Structural Information

Molecular Formula
C23H25N5O2
SMILES
C1CN2C(=O)C3=CC=CC=C3N=C2N(C1)C(=O)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H25N5O2/c29-21(17-25-13-15-26(16-14-25)18-7-2-1-3-8-18)27-11-6-12-28-22(30)19-9-4-5-10-20(19)24-23(27)28/h1-5,7-10H,6,11-17H2
InChIKey
IPAPJDCSKXSFFF-UHFFFAOYSA-N
Compound name
1-[2-(4-phenylpiperazin-1-yl)acetyl]-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20084 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 199.7
[M+Na]+ 426.19006 215.0
[M+NH4]+ 421.23466 206.1
[M+K]+ 442.16400 206.4
[M-H]- 402.19356 204.1
[M+Na-2H]- 424.17551 206.5
[M]+ 403.20029 203.0
[M]- 403.20139 203.0
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.