CID 11233694

87864-07-1

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]+ 360.22818 187.5
[M+Na]+ 382.21012 191.1
[M-H]- 358.21362 189.5
[M+NH4]+ 377.25472 199.2
[M+K]+ 398.18406 182.7
[M+H-H2O]+ 342.21816 183.4
[M+HCOO]- 404.21910 207.4
[M+CH3COO]- 418.23475 214.7
[M+Na-2H]- 380.19557 194.8
[M]+ 359.22035 189.6
[M]- 359.22145 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.