CID 21119720

27189-31-7

Structural Information

Molecular Formula
C20H23BrN6O8
SMILES
CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)N(CCO)CCO
InChI
InChI=1S/C20H23BrN6O8/c1-3-35-19-11-16(15(22-12(2)30)10-17(19)25(4-6-28)5-7-29)23-24-20-14(21)8-13(26(31)32)9-18(20)27(33)34/h8-11,28-29H,3-7H2,1-2H3,(H,22,30)
InChIKey
CZRLMQSJSAOTOP-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.07605 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.08333 212.0
[M+Na]+ 577.06527 215.7
[M+NH4]+ 572.10987 218.5
[M+K]+ 593.03921 221.6
[M-H]- 553.06877 208.8
[M+Na-2H]- 575.05072 206.5
[M]+ 554.07550 213.2
[M]- 554.07660 213.2
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.