CID 11233694

Cinchocaine n-oxide

Structural Information

Molecular Formula
C20H29N3O3
SMILES
CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCC[N+](CC)(CC)[O-]
InChI
InChI=1S/C20H29N3O3/c1-4-7-14-26-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(25,5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKey
UGGGFQVASHFSFB-UHFFFAOYSA-N
Compound name
2-[(2-butoxyquinoline-4-carbonyl)amino]-N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.2209 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.228176 187.5
[M+Na]+ 382.210118 191.1
[M-H]- 358.213624 189.5
[M+NH4]+ 377.254723 199.2
[M+K]+ 398.184058 182.7
[M+H-H2O]+ 342.218160 183.4
[M+HCOO]- 404.219101 207.4
[M+CH3COO]- 418.234751 214.7
[M+Na-2H]- 380.195566 194.8
[M]+ 359.22035142 189.6
[M]- 359.22144858 189.6
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.