CID 3074688

Piperidine, 1-((3,4-dihydro-6-oxo-2h-pyrimido(2,1-b)quinazolin-1(6h)-yl)acetyl)-

Structural Information

Molecular Formula
C18H22N4O2
SMILES
C1CCN(CC1)C(=O)CN2CCCN3C2=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H22N4O2/c23-16(20-9-4-1-5-10-20)13-21-11-6-12-22-17(24)14-7-2-3-8-15(14)19-18(21)22/h2-3,7-8H,1,4-6,9-13H2
InChIKey
SWSVNVWRFUFAJW-UHFFFAOYSA-N
Compound name
1-(2-oxo-2-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

326.1743 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 179.5
[M+Na]+ 349.16352 184.6
[M-H]- 325.16702 180.6
[M+NH4]+ 344.20812 188.9
[M+K]+ 365.13746 178.6
[M+H-H2O]+ 309.17156 167.1
[M+HCOO]- 371.17250 188.7
[M+CH3COO]- 385.18815 186.7
[M+Na-2H]- 347.14897 182.8
[M]+ 326.17375 173.7
[M]- 326.17485 173.7
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.