CID 54683421

Schembl4330680

Structural Information

Molecular Formula
C18H16Cl2N2O4
SMILES
CCC(C1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H16Cl2N2O4/c1-2-14(23)13-9-21(8-10-3-4-11(19)12(20)7-10)18(26)16-17(25)15(24)5-6-22(13)16/h3-7,9,14,23,25H,2,8H2,1H3
InChIKey
VZZNBCWAFYFYED-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(1-hydroxypropyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

394.0487 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.05598 183.5
[M+Na]+ 417.03792 195.8
[M-H]- 393.04142 186.5
[M+NH4]+ 412.08252 194.0
[M+K]+ 433.01186 188.4
[M+H-H2O]+ 377.04596 176.1
[M+HCOO]- 439.04690 191.0
[M+CH3COO]- 453.06255 216.5
[M+Na-2H]- 415.02337 184.7
[M]+ 394.04815 190.1
[M]- 394.04925 190.1
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.