CID 2825196

7-acetamido-1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCN1C2=C(C=CC(=C2)NC(=O)C)C(CC1(C)C)C
InChI
InChI=1S/C16H24N2O/c1-6-18-15-9-13(17-12(3)19)7-8-14(15)11(2)10-16(18,4)5/h7-9,11H,6,10H2,1-5H3,(H,17,19)
InChIKey
SXPXTTKGVYQPAM-UHFFFAOYSA-N
Compound name
N-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

260.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 162.2
[M+Na]+ 283.17809 170.0
[M-H]- 259.18159 165.4
[M+NH4]+ 278.22269 181.3
[M+K]+ 299.15203 166.6
[M+H-H2O]+ 243.18613 155.7
[M+HCOO]- 305.18707 180.5
[M+CH3COO]- 319.20272 203.7
[M+Na-2H]- 281.16354 165.5
[M]+ 260.18832 162.2
[M]- 260.18942 162.2
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

patents stripe