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]+ 275.211776 166.8
[M+Na]+ 297.193718 174.1
[M-H]- 273.197224 169.8
[M+NH4]+ 292.238323 185.3
[M+K]+ 313.167658 170.5
[M+H-H2O]+ 257.201760 160.0
[M+HCOO]- 319.202701 184.7
[M+CH3COO]- 333.218351 206.7
[M+Na-2H]- 295.179166 169.6
[M]+ 274.20395142 167.1
[M]- 274.20504858 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

literature stripe

Patent stripe

patents stripe