CID 150016

82760-43-8

Structural Information

Molecular Formula
C20H23BrN4O6
SMILES
CCOC(=O)C1=CC(=C(C(=C1)Br)N=NC2=C(C=C(C=C2)N(CCO)CCO)C)[N+](=O)[O-]
InChI
InChI=1S/C20H23BrN4O6/c1-3-31-20(28)14-11-16(21)19(18(12-14)25(29)30)23-22-17-5-4-15(10-13(17)2)24(6-8-26)7-9-27/h4-5,10-12,26-27H,3,6-9H2,1-2H3
InChIKey
YAVXXWFSPXTPCW-UHFFFAOYSA-N
Compound name
ethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-bromo-5-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.0801 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.08738 207.4
[M+Na]+ 517.06932 207.9
[M+NH4]+ 512.11392 208.0
[M+K]+ 533.04326 210.9
[M-H]- 493.07282 210.0
[M+Na-2H]- 515.05477 208.2
[M]+ 494.07955 206.6
[M]- 494.08065 206.6
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.