CID 4383583

2,2-bis(4-bromoanilino)-1-(2-thienyl)ethanone

Structural Information

Molecular Formula
C18H14Br2N2OS
SMILES
C1=CSC(=C1)C(=O)C(NC2=CC=C(C=C2)Br)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C18H14Br2N2OS/c19-12-3-7-14(8-4-12)21-18(17(23)16-2-1-11-24-16)22-15-9-5-13(20)6-10-15/h1-11,18,21-22H
InChIKey
NAMFNVCZKSLKNX-UHFFFAOYSA-N
Compound name
2,2-bis(4-bromoanilino)-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.91937 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.92665 169.2
[M+Na]+ 486.90859 163.9
[M+NH4]+ 481.95319 171.3
[M+K]+ 502.88253 169.6
[M-H]- 462.91209 172.6
[M+Na-2H]- 484.89404 172.5
[M]+ 463.91882 168.6
[M]- 463.91992 168.6
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.