CID 21149634

Einecs 286-180-3

Structural Information

Molecular Formula
C19H24Br2N5O2
SMILES
CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br
InChI
InChI=1S/C19H24Br2N5O2/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21/h6-9,12-13H,5,10-11H2,1-4H3/q+1
InChIKey
XECBZDHVZYMZQI-UHFFFAOYSA-N
Compound name
2-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.02966 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.03694 204.0
[M+Na]+ 535.01888 209.4
[M-H]- 511.02238 215.3
[M+NH4]+ 530.06348 215.5
[M+K]+ 550.99282 186.9
[M+H-H2O]+ 495.02692 210.0
[M+HCOO]- 557.02786 223.0
[M+CH3COO]- 571.04351 240.3
[M+Na-2H]- 533.00433 210.3
[M]+ 512.02911 238.6
[M]- 512.03021 238.6
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.