CID 129110

Wy 45911

Structural Information

Molecular Formula
C21H20N2O5
SMILES
COC(=O)CCC(=O)N(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
InChIKey
KWMZKEYRUAAKNW-UHFFFAOYSA-N
Compound name
methyl 4-[N-hydroxy-3-(quinolin-2-ylmethoxy)anilino]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

380.1372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14448 188.4
[M+Na]+ 403.12642 200.6
[M+NH4]+ 398.17102 193.9
[M+K]+ 419.10036 194.8
[M-H]- 379.12992 191.4
[M+Na-2H]- 401.11187 195.0
[M]+ 380.13665 190.7
[M]- 380.13775 190.7
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

patents stripe