CID 139592925

Berdazimer sodium

Structural Information

Molecular Formula
C16H12ClN5O2
SMILES
COC1=CC2=C(C=C1)N(CC(=O)N2)C3=NC(=NC4=C3N=CC=C4)Cl
InChI
InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-14-10(3-2-6-18-14)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23)
InChIKey
LHARPASIDWIFEJ-UHFFFAOYSA-N
Compound name
4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

0
Patents

341.06796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07524 179.9
[M+Na]+ 364.05718 190.9
[M-H]- 340.06068 180.2
[M+NH4]+ 359.10178 188.3
[M+K]+ 380.03112 182.7
[M+H-H2O]+ 324.06522 168.0
[M+HCOO]- 386.06616 187.2
[M+CH3COO]- 400.08181 188.3
[M+Na-2H]- 362.04263 186.0
[M]+ 341.06741 180.7
[M]- 341.06851 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.