CID 3085658

71889-12-8

Structural Information

Molecular Formula
C21H25BrN6O7
SMILES
CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OCCOC
InChI
InChI=1S/C21H25BrN6O7/c1-5-26(6-2)18-11-16(23-13(3)29)17(12-20(18)35-8-7-34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h9-12H,5-8H2,1-4H3,(H,23,29)
InChIKey
BIDISJNQXPHFHO-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-(2-methoxyethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.0968 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.10408 219.2
[M+Na]+ 575.08602 278.1
[M-H]- 551.08952 273.5
[M+NH4]+ 570.13062 274.3
[M+K]+ 591.05996 205.7
[M+H-H2O]+ 535.09406 218.7
[M+HCOO]- 597.09500 278.4
[M+CH3COO]- 611.11065 248.8
[M+Na-2H]- 573.07147 224.0
[M]+ 552.09625 249.8
[M]- 552.09735 249.8
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.