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]+ 304.227096 177.7
[M+Na]+ 326.209038 184.7
[M-H]- 302.212544 182.3
[M+NH4]+ 321.253643 193.4
[M+K]+ 342.182978 182.8
[M+H-H2O]+ 286.217080 171.4
[M+HCOO]- 348.218021 190.5
[M+CH3COO]- 362.233671 209.4
[M+Na-2H]- 324.194486 180.4
[M]+ 303.21927142 180.6
[M]- 303.22036858 180.6
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.