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

5
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

literature stripe

Patent stripe

patents stripe