CID 3068392

Brn 4577609

Structural Information

Molecular Formula
C19H18N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2CC(=O)O
InChI
InChI=1S/C19H18N2O6/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-20-13-7-5-4-6-12(13)19(24)21(18)10-16(22)23/h4-9H,10H2,1-3H3,(H,22,23)
InChIKey
JQHSAGGHDCNUKD-UHFFFAOYSA-N
Compound name
2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1165 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12378 184.4
[M+Na]+ 393.10572 194.2
[M-H]- 369.10922 189.1
[M+NH4]+ 388.15032 194.4
[M+K]+ 409.07966 190.9
[M+H-H2O]+ 353.11376 174.3
[M+HCOO]- 415.11470 202.7
[M+CH3COO]- 429.13035 217.2
[M+Na-2H]- 391.09117 187.4
[M]+ 370.11595 191.8
[M]- 370.11705 191.8
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.