CID 388611

Nsc683619

Structural Information

Molecular Formula
C22H26N4O4
SMILES
CN(C)N=NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC
InChI
InChI=1S/C22H26N4O4/c1-26(2)25-24-17-13-22(30-6)20(28-4)11-15(17)9-18-16-12-21(29-5)19(27-3)10-14(16)7-8-23-18/h7-8,10-13H,9H2,1-6H3
InChIKey
JKXDSDLQMLPPKS-UHFFFAOYSA-N
Compound name
N-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]diazenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1954 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20268 200.2
[M+Na]+ 433.18462 207.8
[M-H]- 409.18812 210.8
[M+NH4]+ 428.22922 211.8
[M+K]+ 449.15856 206.8
[M+H-H2O]+ 393.19266 188.3
[M+HCOO]- 455.19360 227.3
[M+CH3COO]- 469.20925 243.5
[M+Na-2H]- 431.17007 204.5
[M]+ 410.19485 211.0
[M]- 410.19595 211.0
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.