CID 387313

Nsc681026

Structural Information

Molecular Formula
C21H18N4O3
SMILES
C1CN(CCN1C2=CC(=O)N3C=CC=CC3=N2)C4=CC(=O)C5=CC=CC=C5O4
InChI
InChI=1S/C21H18N4O3/c26-16-13-21(28-17-6-2-1-5-15(16)17)24-11-9-23(10-12-24)19-14-20(27)25-8-4-3-7-18(25)22-19/h1-8,13-14H,9-12H2
InChIKey
FSBZDDLUXFKIGG-UHFFFAOYSA-N
Compound name
2-[4-(4-oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13788 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14516 191.4
[M+Na]+ 397.12710 201.4
[M-H]- 373.13060 198.0
[M+NH4]+ 392.17170 197.5
[M+K]+ 413.10104 194.7
[M+H-H2O]+ 357.13514 177.2
[M+HCOO]- 419.13608 204.8
[M+CH3COO]- 433.15173 200.0
[M+Na-2H]- 395.11255 197.9
[M]+ 374.13733 191.2
[M]- 374.13843 191.2
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.