CID 54683598

Schembl14129716

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
CC(C)(C)CC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H21ClN2O3/c1-20(2,3)10-14-12-22-7-8-23(11-13-5-4-6-15(21)9-13)19(26)16(22)18(25)17(14)24/h4-9,12,25H,10-11H2,1-3H3
InChIKey
ISDNSMQGTOIJTK-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(2,2-dimethylpropyl)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

372.12408 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 188.7
[M+Na]+ 395.11330 200.4
[M-H]- 371.11680 193.3
[M+NH4]+ 390.15790 200.3
[M+K]+ 411.08724 193.2
[M+H-H2O]+ 355.12134 180.1
[M+HCOO]- 417.12228 201.0
[M+CH3COO]- 431.13793 215.9
[M+Na-2H]- 393.09875 192.3
[M]+ 372.12353 194.5
[M]- 372.12463 194.5
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.