CID 6435144

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

Structural Information

Molecular Formula
C20H29N3O
SMILES
CCCCC1=NC2=CC=CC=C2C(=C1)/C=N\OCCN(CC)CC
InChI
InChI=1S/C20H29N3O/c1-4-7-10-18-15-17(19-11-8-9-12-20(19)22-18)16-21-24-14-13-23(5-2)6-3/h8-9,11-12,15-16H,4-7,10,13-14H2,1-3H3/b21-16-
InChIKey
PXHOFUPXPLZHSN-PGMHBOJBSA-N
Compound name
2-[(Z)-(2-butylquinolin-4-yl)methylideneamino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 183.0
[M+Na]+ 350.22027 187.9
[M-H]- 326.22377 187.6
[M+NH4]+ 345.26487 197.7
[M+K]+ 366.19421 184.5
[M+H-H2O]+ 310.22831 173.1
[M+HCOO]- 372.22925 206.8
[M+CH3COO]- 386.24490 223.0
[M+Na-2H]- 348.20572 187.6
[M]+ 327.23050 189.0
[M]- 327.23160 189.0
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.