CID 54705328

Schembl4332594

Structural Information

Molecular Formula
C19H20Cl2N2O4
SMILES
CC(C)OCC1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H20Cl2N2O4/c1-11(2)27-10-13-8-16(24)18(25)17-19(26)22(5-6-23(13)17)9-12-3-4-14(20)15(21)7-12/h3-4,7-8,11,25H,5-6,9-10H2,1-2H3
InChIKey
BNHMWKBISWUASJ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(propan-2-yloxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

410.08002 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08730 189.9
[M+Na]+ 433.06924 200.2
[M-H]- 409.07274 193.2
[M+NH4]+ 428.11384 200.2
[M+K]+ 449.04318 193.6
[M+H-H2O]+ 393.07728 182.0
[M+HCOO]- 455.07822 195.7
[M+CH3COO]- 469.09387 222.2
[M+Na-2H]- 431.05469 189.1
[M]+ 410.07947 195.7
[M]- 410.08057 195.7
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

patents stripe