CID 3023954

94200-37-0

Structural Information

Molecular Formula
C20H16BrN3O2S
SMILES
C=CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)NC3=CC=CC=C3)Br
InChI
InChI=1S/C20H16BrN3O2S/c1-2-27(25,26)18-12-13-20(19(21)14-18)24-23-17-10-8-16(9-11-17)22-15-6-4-3-5-7-15/h2-14,22H,1H2
InChIKey
BRFATZOQSWKYQG-UHFFFAOYSA-N
Compound name
4-[(2-bromo-4-ethenylsulfonylphenyl)diazenyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.01465 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.021926 185.2
[M+Na]+ 464.003868 195.3
[M-H]- 440.007374 199.2
[M+NH4]+ 459.048473 198.8
[M+K]+ 479.977808 181.2
[M+H-H2O]+ 424.011910 181.0
[M+HCOO]- 486.012851 206.4
[M+CH3COO]- 500.028501 230.6
[M+Na-2H]- 461.989316 192.5
[M]+ 441.01410142 206.0
[M]- 441.01519858 206.0
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.