CID 3055862

Brn 0855785

Structural Information

Molecular Formula
C18H14Cl2N2O5
SMILES
COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3Cl)Cl)C(=O)N2CC(=O)O)OC
InChI
InChI=1S/C18H14Cl2N2O5/c1-26-13-4-3-9(5-14(13)27-2)17-21-16-11(6-10(19)7-12(16)20)18(25)22(17)8-15(23)24/h3-7H,8H2,1-2H3,(H,23,24)
InChIKey
ALTUWPBRIQFSDD-UHFFFAOYSA-N
Compound name
2-[6,8-dichloro-2-(3,4-dimethoxyphenyl)-4-oxoquinazolin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.02798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.03526 185.1
[M+Na]+ 431.01720 197.5
[M-H]- 407.02070 189.4
[M+NH4]+ 426.06180 195.5
[M+K]+ 446.99114 191.7
[M+H-H2O]+ 391.02524 177.1
[M+HCOO]- 453.02618 194.2
[M+CH3COO]- 467.04183 220.8
[M+Na-2H]- 429.00265 187.0
[M]+ 408.02743 194.8
[M]- 408.02853 194.8
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.