CID 87668

18472-22-5

Structural Information

Molecular Formula
C20H23ClN4O2
SMILES
CCN(CC)CCCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN4O2/c1-3-24(4-2)11-5-13-27-19-18(15-6-8-16(21)9-7-15)20(26)25-12-10-22-14-17(25)23-19/h6-10,12,14H,3-5,11,13H2,1-2H3
InChIKey
UYMDDPMVSFJXLL-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[3-(diethylamino)propoxy]pyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.15094 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.158216 192.4
[M+Na]+ 409.140158 201.2
[M-H]- 385.143664 196.8
[M+NH4]+ 404.184763 202.1
[M+K]+ 425.114098 194.9
[M+H-H2O]+ 369.148200 180.8
[M+HCOO]- 431.149141 207.5
[M+CH3COO]- 445.164791 225.3
[M+Na-2H]- 407.125606 196.8
[M]+ 386.15039142 199.8
[M]- 386.15148858 199.8
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.