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

1178
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

literature stripe

Patent stripe

patents stripe