CID 173369

75199-19-8

Structural Information

Molecular Formula
C22H25BrN6O9
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)CCOC(=O)C
InChI
InChI=1S/C22H25BrN6O9/c1-4-37-21-12-18(25-26-22-16(23)9-15(28(33)34)10-20(22)29(35)36)17(24-13(2)31)11-19(21)27(5-7-30)6-8-38-14(3)32/h9-12,30H,4-8H2,1-3H3,(H,24,31)
InChIKey
ZWJGCRVWLUKGGM-UHFFFAOYSA-N
Compound name
2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxy-N-(2-hydroxyethyl)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.0867 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.09398 219.3
[M+Na]+ 619.07592 223.2
[M+NH4]+ 614.12052 226.0
[M+K]+ 635.04986 229.2
[M-H]- 595.07942 216.5
[M+Na-2H]- 617.06137 213.5
[M]+ 596.08615 220.8
[M]- 596.08725 220.8
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.