CID 3022488

93805-40-4

Structural Information

Molecular Formula
C17H18Br2N4O2
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C
InChI
InChI=1S/C17H18Br2N4O2/c1-4-22(5-2)12-6-7-16(11(3)8-12)20-21-17-14(18)9-13(23(24)25)10-15(17)19/h6-10H,4-5H2,1-3H3
InChIKey
PQCULTOIAQBXSU-UHFFFAOYSA-N
Compound name
4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.97964 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.986916 188.0
[M+Na]+ 490.968858 195.4
[M-H]- 466.972364 199.1
[M+NH4]+ 486.013463 201.2
[M+K]+ 506.942798 176.6
[M+H-H2O]+ 450.976900 193.4
[M+HCOO]- 512.977841 208.0
[M+CH3COO]- 526.993491 236.3
[M+Na-2H]- 488.954306 192.1
[M]+ 467.97909142 223.8
[M]- 467.98018858 223.8
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.