CID 30022

20225-99-4

Structural Information

Molecular Formula
C18H15NO4
SMILES
CC1CC2=CC3=C(C=C2C(=N1)C4=CC5=C(C=C4)OCO5)OCO3
InChI
InChI=1S/C18H15NO4/c1-10-4-12-6-16-17(23-9-22-16)7-13(12)18(19-10)11-2-3-14-15(5-11)21-8-20-14/h2-3,5-7,10H,4,8-9H2,1H3
InChIKey
OPCMKMMPNMZDSB-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-7-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 167.4
[M+Na]+ 332.08932 182.6
[M+NH4]+ 327.13392 176.9
[M+K]+ 348.06326 180.2
[M-H]- 308.09282 177.2
[M+Na-2H]- 330.07477 170.3
[M]+ 309.09955 172.6
[M]- 309.10065 172.6
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.