CID 3075006

2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCCCOC1=C(C=C2CCCCC2=N1)C(=O)N
InChI
InChI=1S/C14H20N2O2/c1-2-3-8-18-14-11(13(15)17)9-10-6-4-5-7-12(10)16-14/h9H,2-8H2,1H3,(H2,15,17)
InChIKey
PJHQNYWOGRNLEA-UHFFFAOYSA-N
Compound name
2-butoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.0
[M+Na]+ 271.14170 163.4
[M-H]- 247.14520 159.7
[M+NH4]+ 266.18630 174.3
[M+K]+ 287.11564 160.4
[M+H-H2O]+ 231.14974 150.3
[M+HCOO]- 293.15068 176.5
[M+CH3COO]- 307.16633 197.8
[M+Na-2H]- 269.12715 161.5
[M]+ 248.15193 156.6
[M]- 248.15303 156.6
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.