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]+ 337.15468 181.6
[M+Na]+ 359.13662 188.3
[M-H]- 335.14012 184.8
[M+NH4]+ 354.18122 192.3
[M+K]+ 375.11056 183.3
[M+H-H2O]+ 319.14466 171.8
[M+HCOO]- 381.14560 197.5
[M+CH3COO]- 395.16125 209.4
[M+Na-2H]- 357.12207 187.5
[M]+ 336.14685 183.6
[M]- 336.14795 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.