CID 16072385

3-[(7-ethoxy-2-methyl-4-quinolyl)hydrazono]-1-phenyl-butan-1-one

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CCOC1=CC2=NC(=CC(=C2C=C1)NN=C(C)CC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C22H23N3O2/c1-4-27-18-10-11-19-20(14-18)23-15(2)12-21(19)25-24-16(3)13-22(26)17-8-6-5-7-9-17/h5-12,14H,4,13H2,1-3H3,(H,23,25)
InChIKey
IAWNUIBXEZZKLQ-UHFFFAOYSA-N
Compound name
3-[(7-ethoxy-2-methylquinolin-4-yl)hydrazinylidene]-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.17902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 188.4
[M+Na]+ 384.16824 193.9
[M-H]- 360.17174 195.4
[M+NH4]+ 379.21284 200.3
[M+K]+ 400.14218 189.3
[M+H-H2O]+ 344.17628 177.8
[M+HCOO]- 406.17722 210.6
[M+CH3COO]- 420.19287 225.7
[M+Na-2H]- 382.15369 192.3
[M]+ 361.17847 191.0
[M]- 361.17957 191.0
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.