CID 3055860

Brn 0838665

Structural Information

Molecular Formula
C16H10Cl2N2O3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3Cl)Cl)C(=O)N2CC(=O)O
InChI
InChI=1S/C16H10Cl2N2O3/c17-10-6-11-14(12(18)7-10)19-15(9-4-2-1-3-5-9)20(16(11)23)8-13(21)22/h1-7H,8H2,(H,21,22)
InChIKey
NARFVFQTXYLVDE-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxo-2-phenylquinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.00684 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01412 171.5
[M+Na]+ 370.99606 183.6
[M-H]- 346.99956 175.3
[M+NH4]+ 366.04066 184.0
[M+K]+ 386.97000 176.3
[M+H-H2O]+ 331.00410 163.7
[M+HCOO]- 393.00504 180.9
[M+CH3COO]- 407.02069 182.4
[M+Na-2H]- 368.98151 175.5
[M]+ 348.00629 176.9
[M]- 348.00739 176.9
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.