CID 93897

Einecs 261-031-5

Structural Information

Molecular Formula
C24H26N6O4
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2OC)N=NC3=CC=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C24H26N6O4/c1-5-29(6-2)19-11-7-17(8-12-19)25-27-21-15-24(34-4)22(16-23(21)33-3)28-26-18-9-13-20(14-10-18)30(31)32/h7-16H,5-6H2,1-4H3
InChIKey
QWXWAOYTVHNDMA-UHFFFAOYSA-N
Compound name
4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20154 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.20882 212.3
[M+Na]+ 485.19076 215.3
[M-H]- 461.19426 227.7
[M+NH4]+ 480.23536 220.7
[M+K]+ 501.16470 210.5
[M+H-H2O]+ 445.19880 202.8
[M+HCOO]- 507.19974 246.4
[M+CH3COO]- 521.21539 253.9
[M+Na-2H]- 483.17621 218.7
[M]+ 462.20099 218.2
[M]- 462.20209 218.2
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.