CID 139597905

Fenazaquin metabolite nn7

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CC(C)(C1=CC=C(C=C1)CCOC2=NC(=O)NC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C20H20N2O4/c1-20(2,18(23)24)14-9-7-13(8-10-14)11-12-26-17-15-5-3-4-6-16(15)21-19(25)22-17/h3-10H,11-12H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKey
XUOADDOPAOACDK-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-[2-[(2-oxo-1H-quinazolin-4-yl)oxy]ethyl]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 184.2
[M+Na]+ 375.13152 191.3
[M-H]- 351.13502 186.4
[M+NH4]+ 370.17612 193.6
[M+K]+ 391.10546 185.8
[M+H-H2O]+ 335.13956 174.8
[M+HCOO]- 397.14050 198.8
[M+CH3COO]- 411.15615 209.9
[M+Na-2H]- 373.11697 189.1
[M]+ 352.14175 185.5
[M]- 352.14285 185.5
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.