CID 112580

63134-09-8

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC(=O)NC1=CC2=C(C=C1)C(CC(N2CC)(C)C)C
InChI
InChI=1S/C17H26N2O/c1-6-16(20)18-13-8-9-14-12(3)11-17(4,5)19(7-2)15(14)10-13/h8-10,12H,6-7,11H2,1-5H3,(H,18,20)
InChIKey
AEFPWLPDOOECGX-UHFFFAOYSA-N
Compound name
N-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3
Patents

274.2045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 166.8
[M+Na]+ 297.19372 174.1
[M-H]- 273.19722 169.8
[M+NH4]+ 292.23832 185.3
[M+K]+ 313.16766 170.5
[M+H-H2O]+ 257.20176 160.0
[M+HCOO]- 319.20270 184.7
[M+CH3COO]- 333.21835 206.7
[M+Na-2H]- 295.17917 169.6
[M]+ 274.20395 167.1
[M]- 274.20505 167.1
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.