CID 3074689

1,2,3,4-tetrahydro-1-(1-piperidinylacetyl)-6h-pyrimido(2,1-b)quinazolin-6-one

Structural Information

Molecular Formula
C18H24N4O2
SMILES
CC(N1CCCCC1)(N2CCCN3C2=NC4=CC=CC=C4C3=O)O
InChI
InChI=1S/C18H24N4O2/c1-18(24,20-10-5-2-6-11-20)22-13-7-12-21-16(23)14-8-3-4-9-15(14)19-17(21)22/h3-4,8-9,24H,2,5-7,10-13H2,1H3
InChIKey
IHWSJLZXZFFASC-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-1-piperidin-1-ylethyl)-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

328.1899 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.197176 182.5
[M+Na]+ 351.179118 187.5
[M-H]- 327.182624 182.5
[M+NH4]+ 346.223723 191.4
[M+K]+ 367.153058 181.4
[M+H-H2O]+ 311.187160 171.0
[M+HCOO]- 373.188101 189.3
[M+CH3COO]- 387.203751 189.2
[M+Na-2H]- 349.164566 187.4
[M]+ 328.18935142 176.0
[M]- 328.19044858 176.0
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.