CID 92446

Disperse blue 291

Structural Information

Molecular Formula
C19H21BrN6O6
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-])OC
InChI
InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)
InChIKey
QRKGKRSGMAWUMO-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

326
Patents

508.0706 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.07788 208.0
[M+Na]+ 531.05982 212.1
[M+NH4]+ 526.10442 214.6
[M+K]+ 547.03376 218.0
[M-H]- 507.06332 204.7
[M+Na-2H]- 529.04527 202.8
[M]+ 508.07005 209.3
[M]- 508.07115 209.3
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