CID 3068394

Brn 4583479

Structural Information

Molecular Formula
C20H20N2O6
SMILES
CC(C(=O)O)N1C(=NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H20N2O6/c1-11(20(24)25)22-18(21-14-8-6-5-7-13(14)19(22)23)12-9-15(26-2)17(28-4)16(10-12)27-3/h5-11H,1-4H3,(H,24,25)
InChIKey
GVIKEMGNQFXRJV-UHFFFAOYSA-N
Compound name
2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13214 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13942 188.3
[M+Na]+ 407.12136 197.3
[M-H]- 383.12486 192.8
[M+NH4]+ 402.16596 197.5
[M+K]+ 423.09530 194.4
[M+H-H2O]+ 367.12940 178.2
[M+HCOO]- 429.13034 205.2
[M+CH3COO]- 443.14599 221.1
[M+Na-2H]- 405.10681 189.7
[M]+ 384.13159 195.4
[M]- 384.13269 195.4
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.