CID 388613

Nsc683620

Structural Information

Molecular Formula
C24H31N4O4
SMILES
CC(C1=CC(=C(C=C1N=NN(C)C)OC)OC)C2=[N+](C=CC3=CC(=C(C=C32)OC)OC)C
InChI
InChI=1S/C24H31N4O4/c1-15(17-12-21(30-6)23(32-8)14-19(17)25-26-27(2)3)24-18-13-22(31-7)20(29-5)11-16(18)9-10-28(24)4/h9-15H,1-8H3/q+1
InChIKey
LVRVAPYWIWZBJO-UHFFFAOYSA-N
Compound name
N-[[2-[1-(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)ethyl]-4,5-dimethoxyphenyl]diazenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.23453 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24181 211.7
[M+Na]+ 462.22375 218.5
[M-H]- 438.22725 222.5
[M+NH4]+ 457.26835 221.9
[M+K]+ 478.19769 212.1
[M+H-H2O]+ 422.23179 202.5
[M+HCOO]- 484.23273 236.4
[M+CH3COO]- 498.24838 244.2
[M+Na-2H]- 460.20920 215.6
[M]+ 439.23398 221.4
[M]- 439.23508 221.4
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.