CID 29577

19409-90-6

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCCCC(C)(C)C1C2=CC3=C(C=C2CC(N1C)C)OCO3
InChI
InChI=1S/C19H29NO2/c1-6-7-8-19(3,4)18-15-11-17-16(21-12-22-17)10-14(15)9-13(2)20(18)5/h10-11,13,18H,6-9,12H2,1-5H3
InChIKey
GPKFDUCWHQRILK-UHFFFAOYSA-N
Compound name
6,7-dimethyl-5-(2-methylhexan-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 175.0
[M+Na]+ 326.20904 186.9
[M+NH4]+ 321.25364 183.4
[M+K]+ 342.18298 182.3
[M-H]- 302.21254 179.4
[M+Na-2H]- 324.19449 176.2
[M]+ 303.21927 178.1
[M]- 303.22037 178.1
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.