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]+ 327.181576 179.5
[M+Na]+ 349.163518 184.6
[M-H]- 325.167024 180.6
[M+NH4]+ 344.208123 188.9
[M+K]+ 365.137458 178.6
[M+H-H2O]+ 309.171560 167.1
[M+HCOO]- 371.172501 188.7
[M+CH3COO]- 385.188151 186.7
[M+Na-2H]- 347.148966 182.8
[M]+ 326.17375142 173.7
[M]- 326.17484858 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.