CID 30075

20233-00-5

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCC(C)(C)C1C2=CC3=C(C=C2CC(N1)C)OCO3
InChI
InChI=1S/C18H27NO2/c1-5-6-7-18(3,4)17-14-10-16-15(20-11-21-16)9-13(14)8-12(2)19-17/h9-10,12,17,19H,5-8,11H2,1-4H3
InChIKey
DQWLSJQQJNLPER-UHFFFAOYSA-N
Compound name
7-methyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.0
[M+Na]+ 312.19342 182.2
[M+NH4]+ 307.23802 179.2
[M+K]+ 328.16736 177.9
[M-H]- 288.19692 174.8
[M+Na-2H]- 310.17887 172.1
[M]+ 289.20365 173.8
[M]- 289.20475 173.8
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.