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]+ 387.15822 192.4
[M+Na]+ 409.14016 201.2
[M-H]- 385.14366 196.8
[M+NH4]+ 404.18476 202.1
[M+K]+ 425.11410 194.9
[M+H-H2O]+ 369.14820 180.8
[M+HCOO]- 431.14914 207.5
[M+CH3COO]- 445.16479 225.3
[M+Na-2H]- 407.12561 196.8
[M]+ 386.15039 199.8
[M]- 386.15149 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.