CID 54683467

Schembl4320687

Structural Information

Molecular Formula
C17H16ClN3O4
SMILES
CNC(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3O4/c1-19-16(24)12-9-20-6-7-21(8-10-2-4-11(18)5-3-10)17(25)13(20)15(23)14(12)22/h2-5,9,23H,6-8H2,1H3,(H,19,24)
InChIKey
BGSPHXQLWQIACC-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

361.08295 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09023 180.6
[M+Na]+ 384.07217 190.2
[M-H]- 360.07567 184.7
[M+NH4]+ 379.11677 191.7
[M+K]+ 400.04611 184.1
[M+H-H2O]+ 344.08021 172.1
[M+HCOO]- 406.08115 193.3
[M+CH3COO]- 420.09680 215.0
[M+Na-2H]- 382.05762 182.7
[M]+ 361.08240 182.7
[M]- 361.08350 182.7
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