CID 192494

150907-43-0

Structural Information

Molecular Formula
C23H24N2O4
SMILES
CCOC(=O)CCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC
InChI
InChI=1S/C23H24N2O4/c1-4-29-21(27)13-12-19(26)17-14-24-23-16(9-7-11-20(23)28-3)22(17)25-18-10-6-5-8-15(18)2/h5-11,14H,4,12-13H2,1-3H3,(H,24,25)
InChIKey
HPXFYCXZUAIFJM-UHFFFAOYSA-N
Compound name
ethyl 4-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

392.1736 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 195.5
[M+Na]+ 415.16282 201.5
[M-H]- 391.16632 201.4
[M+NH4]+ 410.20742 205.8
[M+K]+ 431.13676 197.4
[M+H-H2O]+ 375.17086 185.1
[M+HCOO]- 437.17180 215.1
[M+CH3COO]- 451.18745 226.7
[M+Na-2H]- 413.14827 197.3
[M]+ 392.17305 200.5
[M]- 392.17415 200.5
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

patents stripe