CID 101377370

869377-50-4

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C(C(=C1)C=O)N2C3=CC=CC=C3C(=O)NC2=O
InChI
InChI=1S/C15H10N2O3/c18-9-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)14(19)16-15(17)20/h1-9H,(H,16,19,20)
InChIKey
TZCUDQGVRQPRCM-UHFFFAOYSA-N
Compound name
2-(2,4-dioxoquinazolin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.076426 157.3
[M+Na]+ 289.058368 168.7
[M-H]- 265.061874 161.9
[M+NH4]+ 284.102973 171.5
[M+K]+ 305.032308 162.5
[M+H-H2O]+ 249.066410 148.3
[M+HCOO]- 311.067351 177.9
[M+CH3COO]- 325.083001 169.6
[M+Na-2H]- 287.043816 164.7
[M]+ 266.06860142 158.3
[M]- 266.06969858 158.3
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.