CID 100621

38428-14-7

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C
InChI
InChI=1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3
InChIKey
LPBHYOYZZIFCQT-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1230
Patents

303.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 174.2
[M+Na]+ 326.17266 179.3
[M-H]- 302.17616 176.4
[M+NH4]+ 321.21726 188.9
[M+K]+ 342.14660 177.1
[M+H-H2O]+ 286.18070 166.2
[M+HCOO]- 348.18164 190.6
[M+CH3COO]- 362.19729 207.6
[M+Na-2H]- 324.15811 174.9
[M]+ 303.18289 177.4
[M]- 303.18399 177.4
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.