CID 9555866

Nsc643515

Structural Information

Molecular Formula
C17H14FN3O4S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)F)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14FN3O4S/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
LUDPADPUWHOGFV-YBFXNURJSA-N
Compound name
N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0689 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.07618 183.5
[M+Na]+ 398.05812 192.3
[M-H]- 374.06162 190.4
[M+NH4]+ 393.10272 197.5
[M+K]+ 414.03206 187.4
[M+H-H2O]+ 358.06616 175.1
[M+HCOO]- 420.06710 201.1
[M+CH3COO]- 434.08275 220.2
[M+Na-2H]- 396.04357 185.9
[M]+ 375.06835 186.8
[M]- 375.06945 186.8
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.