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 174.0
[M+Na]+ 486.90859 182.2
[M-H]- 462.91209 185.0
[M+NH4]+ 481.95319 188.6
[M+K]+ 502.88253 165.6
[M+H-H2O]+ 446.91663 180.2
[M+HCOO]- 508.91757 187.3
[M+CH3COO]- 522.93322 185.6
[M+Na-2H]- 484.89404 176.6
[M]+ 463.91882 207.7
[M]- 463.91992 207.7
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.