CID 446106

R-95845

Structural Information

Molecular Formula
C17H16Br2N2O2
SMILES
CC1=CC(=C(C=C1)C(=O)C)N[C@@H](C2=C(C=CC=C2Br)Br)C(=O)N
InChI
InChI=1S/C17H16Br2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1
InChIKey
FELUFXCUIYHAPB-INIZCTEOSA-N
Compound name
(2S)-2-(2-acetyl-5-methylanilino)-2-(2,6-dibromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

437.95786 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.96514 178.2
[M+Na]+ 460.94708 185.5
[M-H]- 436.95058 186.1
[M+NH4]+ 455.99168 191.3
[M+K]+ 476.92102 169.1
[M+H-H2O]+ 420.95512 182.6
[M+HCOO]- 482.95606 192.1
[M+CH3COO]- 496.97171 229.2
[M+Na-2H]- 458.93253 178.6
[M]+ 437.95731 210.3
[M]- 437.95841 210.3
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

No patent data available for this compound.