CID 3052355

Brn 0674312

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CC(C)C1=CN2C(=NC3=C(C2=O)C=C(C=C3)C(=O)O)C=C1
InChI
InChI=1S/C16H14N2O3/c1-9(2)11-4-6-14-17-13-5-3-10(16(20)21)7-12(13)15(19)18(14)8-11/h3-9H,1-2H3,(H,20,21)
InChIKey
BPZOBPJZRALKPI-UHFFFAOYSA-N
Compound name
11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

282.10043 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 162.4
[M+Na]+ 305.08965 173.3
[M-H]- 281.09315 164.8
[M+NH4]+ 300.13425 177.2
[M+K]+ 321.06359 168.5
[M+H-H2O]+ 265.09769 154.2
[M+HCOO]- 327.09863 180.2
[M+CH3COO]- 341.11428 201.5
[M+Na-2H]- 303.07510 168.6
[M]+ 282.09988 166.0
[M]- 282.10098 166.0
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

No patent data available for this compound.