CID 139597870

Dtxsid301027828

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CC(C)(C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C20H20N2O3/c1-20(2,19(23)24)15-9-7-14(8-10-15)11-12-25-18-16-5-3-4-6-17(16)21-13-22-18/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKey
XPPHLZIVNTXKHZ-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(2-quinazolin-4-yloxyethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 181.6
[M+Na]+ 359.136618 188.3
[M-H]- 335.140124 184.8
[M+NH4]+ 354.181223 192.3
[M+K]+ 375.110558 183.3
[M+H-H2O]+ 319.144660 171.8
[M+HCOO]- 381.145601 197.5
[M+CH3COO]- 395.161251 209.4
[M+Na-2H]- 357.122066 187.5
[M]+ 336.14685142 183.6
[M]- 336.14794858 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.