CID 3085563

71673-20-6

Structural Information

Molecular Formula
C18H29NO2
SMILES
CCOCCOCCN1C2=CC=CC=C2[C@@H](CC1(C)C)C
InChI
InChI=1S/C18H29NO2/c1-5-20-12-13-21-11-10-19-17-9-7-6-8-16(17)15(2)14-18(19,3)4/h6-9,15H,5,10-14H2,1-4H3/t15-/m1/s1
InChIKey
LHUHRYNUYWOJFX-OAHLLOKOSA-N
Compound name
(4R)-1-[2-(2-ethoxyethoxy)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.21982 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.227096 172.4
[M+Na]+ 314.209038 178.9
[M-H]- 290.212544 174.7
[M+NH4]+ 309.253643 190.2
[M+K]+ 330.182978 175.7
[M+H-H2O]+ 274.217080 164.8
[M+HCOO]- 336.218021 190.0
[M+CH3COO]- 350.233671 206.1
[M+Na-2H]- 312.194486 176.0
[M]+ 291.21927142 176.2
[M]- 291.22036858 176.2
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