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 174.0
[M+Na]+ 564.95152 167.9
[M+NH4]+ 559.99612 174.3
[M+K]+ 580.92546 173.9
[M-H]- 540.95502 175.9
[M+Na-2H]- 562.93697 176.5
[M]+ 541.96175 172.7
[M]- 541.96285 172.7
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.