CID 6873346

2-(3-ethoxyphenyl)-n'-[4-methoxy-3-(4-morpholinylmethyl)benzylidene]-4-quinolinecarbohydrazide

Structural Information

Molecular Formula
C31H32N4O4
SMILES
CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC(=C(C=C4)OC)CN5CCOCC5
InChI
InChI=1S/C31H32N4O4/c1-3-39-25-8-6-7-23(18-25)29-19-27(26-9-4-5-10-28(26)33-29)31(36)34-32-20-22-11-12-30(37-2)24(17-22)21-35-13-15-38-16-14-35/h4-12,17-20H,3,13-16,21H2,1-2H3,(H,34,36)/b32-20+
InChIKey
HDAJPHABDIEHDY-UZWMFBFFSA-N
Compound name
2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

524.2424 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.24968 230.8
[M+Na]+ 547.23162 233.2
[M-H]- 523.23512 241.5
[M+NH4]+ 542.27622 231.7
[M+K]+ 563.20556 228.4
[M+H-H2O]+ 507.23966 215.2
[M+HCOO]- 569.24060 246.3
[M+CH3COO]- 583.25625 235.9
[M+Na-2H]- 545.21707 232.2
[M]+ 524.24185 231.2
[M]- 524.24295 231.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.