CID 54683649

Schembl14129746

Structural Information

Molecular Formula
C16H11ClN6O3
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=NNN=N4
InChI
InChI=1S/C16H11ClN6O3/c17-10-3-1-2-9(6-10)7-23-5-4-22-8-11(15-18-20-21-19-15)13(24)14(25)12(22)16(23)26/h1-6,8,25H,7H2,(H,18,19,20,21)
InChIKey
SCXNUGXKNAOBDQ-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.0581 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06538 184.0
[M+Na]+ 393.04732 198.1
[M-H]- 369.05082 186.3
[M+NH4]+ 388.09192 190.4
[M+K]+ 409.02126 188.7
[M+H-H2O]+ 353.05536 172.5
[M+HCOO]- 415.05630 195.3
[M+CH3COO]- 429.07195 193.4
[M+Na-2H]- 391.03277 188.1
[M]+ 370.05755 188.3
[M]- 370.05865 188.3
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