CID 13526631

Brn 5653735

Structural Information

Molecular Formula
C24H26N4O3
SMILES
COCCN(CCOC)C1=NC2=CC(=NN=C2C3=CC=CC=C31)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H26N4O3/c1-29-14-12-28(13-15-30-2)24-20-7-5-4-6-19(20)23-22(25-24)16-21(26-27-23)17-8-10-18(31-3)11-9-17/h4-11,16H,12-15H2,1-3H3
InChIKey
XZIYWYQOINHZRE-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-3-(4-methoxyphenyl)pyridazino[4,3-c]isoquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

418.2005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20778 203.4
[M+Na]+ 441.18972 220.3
[M+NH4]+ 436.23432 210.3
[M+K]+ 457.16366 210.8
[M-H]- 417.19322 208.6
[M+Na-2H]- 439.17517 212.2
[M]+ 418.19995 207.5
[M]- 418.20105 207.5
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

patents stripe