CID 54683338

Schembl4315308

Structural Information

Molecular Formula
C19H18Cl2N2O3
SMILES
CC(C)CC1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O3/c1-11(2)7-13-10-22(9-12-3-4-14(20)15(21)8-12)19(26)17-18(25)16(24)5-6-23(13)17/h3-6,8,10-11,25H,7,9H2,1-2H3
InChIKey
ISDRSQKVQHZJDO-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-methylpropyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

392.06946 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07674 185.8
[M+Na]+ 415.05868 198.2
[M-H]- 391.06218 189.8
[M+NH4]+ 410.10328 197.1
[M+K]+ 431.03262 190.5
[M+H-H2O]+ 375.06672 177.8
[M+HCOO]- 437.06766 194.1
[M+CH3COO]- 451.08331 219.4
[M+Na-2H]- 413.04413 186.6
[M]+ 392.06891 193.0
[M]- 392.07001 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.