CID 54707927

Schembl14129902

Structural Information

Molecular Formula
C17H14ClN3O5
SMILES
COC(=O)NC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H14ClN3O5/c1-26-17(25)19-12-9-20-5-6-21(8-10-3-2-4-11(18)7-10)16(24)13(20)15(23)14(12)22/h2-7,9,23H,8H2,1H3,(H,19,25)
InChIKey
QISCHPUSYQVTBN-UHFFFAOYSA-N
Compound name
methyl N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

375.0622 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06948 181.5
[M+Na]+ 398.05142 192.8
[M-H]- 374.05492 186.4
[M+NH4]+ 393.09602 192.2
[M+K]+ 414.02536 187.3
[M+H-H2O]+ 358.05946 172.7
[M+HCOO]- 420.06040 197.2
[M+CH3COO]- 434.07605 216.0
[M+Na-2H]- 396.03687 185.7
[M]+ 375.06165 187.8
[M]- 375.06275 187.8
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