CID 3075004

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

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCOC1=C(C=C2CCCCC2=N1)C(=O)N
InChI
InChI=1S/C13H18N2O2/c1-2-7-17-13-10(12(14)16)8-9-5-3-4-6-11(9)15-13/h8H,2-7H2,1H3,(H2,14,16)
InChIKey
CPBCPFMDQVQDSI-UHFFFAOYSA-N
Compound name
2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 153.4
[M+Na]+ 257.126048 159.3
[M-H]- 233.129554 155.4
[M+NH4]+ 252.170653 170.3
[M+K]+ 273.099988 156.5
[M+H-H2O]+ 217.134090 145.9
[M+HCOO]- 279.135031 172.3
[M+CH3COO]- 293.150681 194.8
[M+Na-2H]- 255.111496 157.5
[M]+ 234.13628142 151.7
[M]- 234.13737858 151.7
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.