CID 16755780

Az683

Structural Information

Molecular Formula
C23H25F2N5O2
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C(C=C(C=C3)F)F)C(=O)N)N4CCN(CC4)C
InChI
InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)
InChIKey
IBHNEKVLDKCEQY-UHFFFAOYSA-N
Compound name
4-(2,4-difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

196
Patents

441.19763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.20491 209.9
[M+Na]+ 464.18685 216.5
[M-H]- 440.19035 213.1
[M+NH4]+ 459.23145 214.9
[M+K]+ 480.16079 209.1
[M+H-H2O]+ 424.19489 195.5
[M+HCOO]- 486.19583 222.2
[M+CH3COO]- 500.21148 215.8
[M+Na-2H]- 462.17230 208.5
[M]+ 441.19708 205.3
[M]- 441.19818 205.3
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