CID 54707913

2-[2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetonitrile

Structural Information

Molecular Formula
C17H13Cl2N3O3
SMILES
C1C(N2C=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)CC#N
InChI
InChI=1S/C17H13Cl2N3O3/c18-12-2-1-10(7-13(12)19)8-21-9-11(3-5-20)22-6-4-14(23)16(24)15(22)17(21)25/h1-2,4,6-7,11,24H,3,8-9H2
InChIKey
CSYRRXJDJXJPDO-UHFFFAOYSA-N
Compound name
2-[2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.0334 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.04068 182.2
[M+Na]+ 400.02262 195.8
[M-H]- 376.02612 184.2
[M+NH4]+ 395.06722 192.4
[M+K]+ 415.99656 186.3
[M+H-H2O]+ 360.03066 168.5
[M+HCOO]- 422.03160 187.2
[M+CH3COO]- 436.04725 190.5
[M+Na-2H]- 398.00807 182.8
[M]+ 377.03285 180.5
[M]- 377.03395 180.5
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.