CID 103326

Einecs 265-628-1

Structural Information

Molecular Formula
C22H27Br2N5O5
SMILES
CCN(CCOCCOCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)NC(=O)C
InChI
InChI=1S/C22H27Br2N5O5/c1-4-28(8-9-34-11-10-33-5-2)16-6-7-20(21(14-16)25-15(3)30)26-27-22-18(23)12-17(29(31)32)13-19(22)24/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,25,30)
InChIKey
LGKOFTCGDOTCJS-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dibromo-4-nitrophenyl)diazenyl]-5-[2-(2-ethoxyethoxy)ethyl-ethylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.0379 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.04518 213.6
[M+Na]+ 622.02712 216.9
[M-H]- 598.03062 223.3
[M+NH4]+ 617.07172 221.5
[M+K]+ 638.00106 198.8
[M+H-H2O]+ 582.03516 216.1
[M+HCOO]- 644.03610 232.1
[M+CH3COO]- 658.05175 255.0
[M+Na-2H]- 620.01257 215.5
[M]+ 599.03735 251.0
[M]- 599.03845 251.0
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.