CID 54683534

Schembl14129841

Structural Information

Molecular Formula
C19H20ClN3O3
SMILES
CCN(CC)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H20ClN3O3/c1-3-21(4-2)15-12-22-8-9-23(11-13-6-5-7-14(20)10-13)19(26)16(22)18(25)17(15)24/h5-10,12,25H,3-4,11H2,1-2H3
InChIKey
ADGCYORWJYOAKS-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(diethylamino)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

373.11932 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12660 186.4
[M+Na]+ 396.10854 197.2
[M-H]- 372.11204 192.0
[M+NH4]+ 391.15314 197.9
[M+K]+ 412.08248 191.0
[M+H-H2O]+ 356.11658 176.9
[M+HCOO]- 418.11752 202.2
[M+CH3COO]- 432.13317 221.5
[M+Na-2H]- 394.09399 189.4
[M]+ 373.11877 193.0
[M]- 373.11987 193.0
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.