CID 54707937

Schembl4322067

Structural Information

Molecular Formula
C18H16ClN3O4
SMILES
CC1=CN(C(=O)C2=C(C(=O)C(=CN12)NC(=O)C)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H16ClN3O4/c1-10-7-21(8-12-4-3-5-13(19)6-12)18(26)15-17(25)16(24)14(9-22(10)15)20-11(2)23/h3-7,9,25H,8H2,1-2H3,(H,20,23)
InChIKey
ODCFHGKLKLCANR-UHFFFAOYSA-N
Compound name
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-4-methyl-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

373.08295 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09023 184.0
[M+Na]+ 396.07217 195.9
[M-H]- 372.07567 189.1
[M+NH4]+ 391.11677 195.1
[M+K]+ 412.04611 189.5
[M+H-H2O]+ 356.08021 175.4
[M+HCOO]- 418.08115 199.1
[M+CH3COO]- 432.09680 218.7
[M+Na-2H]- 394.05762 186.7
[M]+ 373.08240 189.7
[M]- 373.08350 189.7
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