CID 54683289

Schembl4320729

Structural Information

Molecular Formula
C19H17ClN2O5
SMILES
CC(C)OC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H17ClN2O5/c1-11(2)27-19(26)14-10-21-6-7-22(9-12-4-3-5-13(20)8-12)18(25)15(21)17(24)16(14)23/h3-8,10-11,24H,9H2,1-2H3
InChIKey
QSXIGUPXSXWSHZ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

388.0826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08988 184.7
[M+Na]+ 411.07182 195.6
[M-H]- 387.07532 189.4
[M+NH4]+ 406.11642 195.1
[M+K]+ 427.04576 190.2
[M+H-H2O]+ 371.07986 176.0
[M+HCOO]- 433.08080 197.7
[M+CH3COO]- 447.09645 218.2
[M+Na-2H]- 409.05727 186.3
[M]+ 388.08205 191.8
[M]- 388.08315 191.8
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