CID 6435140

2-cyclohexoxycinchoninaldehyde o-(2-(diethylamino)ethyl)oxime hydrochloride

Structural Information

Molecular Formula
C22H31N3O2
SMILES
CCN(CC)CCO/N=C\C1=CC(=NC2=CC=CC=C21)OC3CCCCC3
InChI
InChI=1S/C22H31N3O2/c1-3-25(4-2)14-15-26-23-17-18-16-22(27-19-10-6-5-7-11-19)24-21-13-9-8-12-20(18)21/h8-9,12-13,16-17,19H,3-7,10-11,14-15H2,1-2H3/b23-17-
InChIKey
RLRIFJLLMMARET-QJOMJCCJSA-N
Compound name
2-[(Z)-(2-cyclohexyloxyquinolin-4-yl)methylideneamino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.24164 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 190.9
[M+Na]+ 392.23086 192.8
[M-H]- 368.23436 197.4
[M+NH4]+ 387.27546 202.7
[M+K]+ 408.20480 189.6
[M+H-H2O]+ 352.23890 179.4
[M+HCOO]- 414.23984 211.1
[M+CH3COO]- 428.25549 227.8
[M+Na-2H]- 390.21631 194.1
[M]+ 369.24109 191.9
[M]- 369.24219 191.9
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.