CID 205243

1,3-dioxolo(4,5-g)isoquinoline, 5-(alpha-amino-m-methoxybenzyl)-7-methyl-, dihydrochloride

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC1=CC2=CC3=C(C=C2C(=N1)CNC4=CC(=CC=C4)OC)OCO3
InChI
InChI=1S/C19H18N2O3/c1-12-6-13-7-18-19(24-11-23-18)9-16(13)17(21-12)10-20-14-4-3-5-15(8-14)22-2/h3-9,20H,10-11H2,1-2H3
InChIKey
AROWPVYNRWFLAJ-UHFFFAOYSA-N
Compound name
3-methoxy-N-[(7-methyl-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 175.5
[M+Na]+ 345.12096 190.8
[M+NH4]+ 340.16556 184.3
[M+K]+ 361.09490 184.9
[M-H]- 321.12446 183.5
[M+Na-2H]- 343.10641 181.6
[M]+ 322.13119 180.2
[M]- 322.13229 180.2
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.