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 201.4
[M+Na]+ 426.19006 206.0
[M-H]- 402.19356 203.9
[M+NH4]+ 421.23466 205.5
[M+K]+ 442.16400 197.9
[M+H-H2O]+ 386.19810 186.1
[M+HCOO]- 448.19904 208.2
[M+CH3COO]- 462.21469 206.4
[M+Na-2H]- 424.17551 203.4
[M]+ 403.20029 195.1
[M]- 403.20139 195.1
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.