CID 3053640

Piperazine, bis(4-oxo-2-phenyl-3(4h)-quinazolineacetate) (2:1)

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2CC(=O)O
InChI
InChI=1S/C16H12N2O3/c19-14(20)10-18-15(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)16(18)21/h1-9H,10H2,(H,19,20)
InChIKey
DMKRYUAHUZKOTD-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylquinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 162.3
[M+Na]+ 303.07400 178.3
[M+NH4]+ 298.11860 169.5
[M+K]+ 319.04794 171.1
[M-H]- 279.07750 165.4
[M+Na-2H]- 301.05945 170.9
[M]+ 280.08423 165.5
[M]- 280.08533 165.5
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.