CID 108741

55619-18-6

Structural Information

Molecular Formula
C20H20Br2N4O6
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br
InChI
InChI=1S/C20H20Br2N4O6/c1-13(27)31-9-7-25(8-10-32-14(2)28)16-5-3-15(4-6-16)23-24-20-18(21)11-17(26(29)30)12-19(20)22/h3-6,11-12H,7-10H2,1-2H3
InChIKey
AKGBLCAZNYPAGT-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

569.975 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.98228 204.4
[M+Na]+ 592.96422 208.6
[M-H]- 568.96772 214.5
[M+NH4]+ 588.00882 213.3
[M+K]+ 608.93816 191.5
[M+H-H2O]+ 552.97226 208.3
[M+HCOO]- 614.97320 222.5
[M+CH3COO]- 628.98885 247.0
[M+Na-2H]- 590.94967 206.7
[M]+ 569.97445 241.9
[M]- 569.97555 241.9
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.