CID 209716

5,5'-((methylimino)dimethylene)bis(7-methyl-1,3-dioxolo(4,5-g)isoquinoline) dihydrochloride

Structural Information

Molecular Formula
C25H23N3O4
SMILES
CC1=CC2=CC3=C(C=C2C(=N1)CN(C)CC4=NC(=CC5=CC6=C(C=C54)OCO6)C)OCO3
InChI
InChI=1S/C25H23N3O4/c1-14-4-16-6-22-24(31-12-29-22)8-18(16)20(26-14)10-28(3)11-21-19-9-25-23(30-13-32-25)7-17(19)5-15(2)27-21/h4-9H,10-13H2,1-3H3
InChIKey
QPZPHEUVDFUDEH-UHFFFAOYSA-N
Compound name
N-methyl-1-(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.16885 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17613 203.6
[M+Na]+ 452.15807 220.4
[M+NH4]+ 447.20267 212.0
[M+K]+ 468.13201 216.8
[M-H]- 428.16157 214.5
[M+Na-2H]- 450.14352 206.1
[M]+ 429.16830 209.5
[M]- 429.16940 209.5
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.