CID 104287

N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide

Structural Information

Molecular Formula
C18H19BrN6O5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C18H19BrN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)
InChIKey
WFFKSTRPZWRBEW-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

308
Patents

478.06003 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06731 202.0
[M+Na]+ 501.04925 206.3
[M-H]- 477.05275 213.0
[M+NH4]+ 496.09385 211.4
[M+K]+ 517.02319 188.9
[M+H-H2O]+ 461.05729 202.6
[M+HCOO]- 523.05823 228.1
[M+CH3COO]- 537.07388 236.0
[M+Na-2H]- 499.03470 207.8
[M]+ 478.05948 219.9
[M]- 478.06058 219.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe