CID 420904

Nsc128853

Structural Information

Molecular Formula
C14H17N2O
SMILES
CCCC[N+]1=CC(=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C14H16N2O/c1-2-3-8-16-10-12(14(15)17)9-11-6-4-5-7-13(11)16/h4-7,9-10H,2-3,8H2,1H3,(H-,15,17)/p+1
InChIKey
IKXPKSFETQCJOR-UHFFFAOYSA-O
Compound name
1-butylquinolin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1341 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14138 153.4
[M+Na]+ 252.12332 160.9
[M-H]- 228.12682 156.4
[M+NH4]+ 247.16792 170.6
[M+K]+ 268.09726 151.4
[M+H-H2O]+ 212.13136 148.8
[M+HCOO]- 274.13230 174.4
[M+CH3COO]- 288.14795 188.0
[M+Na-2H]- 250.10877 161.2
[M]+ 229.13355 152.3
[M]- 229.13465 152.3
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.