CID 363871

Nsc629161

Structural Information

Molecular Formula
C20H19N3O4
SMILES
COC1=C(C=C2C(=C1)C=CN=C2C3=NNC4=CC(=C(C=C43)OC)OC)OC
InChI
InChI=1S/C20H19N3O4/c1-24-15-7-11-5-6-21-19(12(11)8-16(15)25-2)20-13-9-17(26-3)18(27-4)10-14(13)22-23-20/h5-10H,1-4H3,(H,22,23)
InChIKey
LJSFVXBGXNZFDQ-UHFFFAOYSA-N
Compound name
1-(5,6-dimethoxy-1H-indazol-3-yl)-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.13754 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14482 187.4
[M+Na]+ 388.12676 199.0
[M-H]- 364.13026 192.2
[M+NH4]+ 383.17136 199.4
[M+K]+ 404.10070 193.6
[M+H-H2O]+ 348.13480 177.3
[M+HCOO]- 410.13574 206.2
[M+CH3COO]- 424.15139 198.1
[M+Na-2H]- 386.11221 191.4
[M]+ 365.13699 195.6
[M]- 365.13809 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.