CID 9555853

Nsc643501

Structural Information

Molecular Formula
C17H14BrN3O4S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)Br)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14BrN3O4S/c1-11(19-20-26(24,25)13-8-6-12(18)7-9-13)10-21-16(22)14-4-2-3-5-15(14)17(21)23/h2-9,20H,10H2,1H3/b19-11+
InChIKey
KEYREXBNBRKQAW-YBFXNURJSA-N
Compound name
4-bromo-N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.98883 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.99611 182.8
[M+Na]+ 457.97805 194.1
[M-H]- 433.98155 193.1
[M+NH4]+ 453.02265 198.3
[M+K]+ 473.95199 181.6
[M+H-H2O]+ 417.98609 181.2
[M+HCOO]- 479.98703 199.2
[M+CH3COO]- 494.00268 224.9
[M+Na-2H]- 455.96350 187.4
[M]+ 434.98828 205.2
[M]- 434.98938 205.2
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.