CID 3085686

72066-86-5

Structural Information

Molecular Formula
C19H21BrN6O7
SMILES
CCNC1=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/C19H21BrN6O7/c1-4-21-16-9-14(22-11(2)27)15(10-18(16)33-6-5-32-3)23-24-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10,21H,4-6H2,1-3H3,(H,22,27)
InChIKey
MOZMVNZQVKFDQR-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.0655 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.07278 209.1
[M+Na]+ 547.05472 212.7
[M-H]- 523.05822 218.8
[M+NH4]+ 542.09932 267.7
[M+K]+ 563.02866 195.2
[M+H-H2O]+ 507.06276 209.0
[M+HCOO]- 569.06370 276.4
[M+CH3COO]- 583.07935 240.8
[M+Na-2H]- 545.04017 215.6
[M]+ 524.06495 228.5
[M]- 524.06605 228.5
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.