CID 6883619

496797-21-8

Structural Information

Molecular Formula
C19H20Br2N4O3S
SMILES
C1CN(CCN1CC(=O)N/N=C/C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H20Br2N4O3S/c20-16-4-6-18(7-5-16)29(27,28)25-10-8-24(9-11-25)14-19(26)23-22-13-15-2-1-3-17(21)12-15/h1-7,12-13H,8-11,14H2,(H,23,26)/b22-13+
InChIKey
WZJSXCOGJUNTTL-LPYMAVHISA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

541.9623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.96958 176.9
[M+Na]+ 564.95152 183.5
[M-H]- 540.95502 185.9
[M+NH4]+ 559.99612 185.9
[M+K]+ 580.92546 167.0
[M+H-H2O]+ 524.95956 182.2
[M+HCOO]- 586.96050 185.6
[M+CH3COO]- 600.97615 237.9
[M+Na-2H]- 562.93697 181.9
[M]+ 541.96175 209.9
[M]- 541.96285 209.9
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.