CID 9555856

Nsc643504

Structural Information

Molecular Formula
C18H17N3O5S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)OC)/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H17N3O5S/c1-12(11-21-17(22)15-5-3-4-6-16(15)18(21)23)19-20-27(24,25)14-9-7-13(26-2)8-10-14/h3-10,20H,11H2,1-2H3/b19-12+
InChIKey
SRKPMSJXODRVFA-XDHOZWIPSA-N
Compound name
N-[(E)-1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0889 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09618 188.1
[M+Na]+ 410.07812 195.9
[M-H]- 386.08162 196.1
[M+NH4]+ 405.12272 201.4
[M+K]+ 426.05206 192.1
[M+H-H2O]+ 370.08616 180.3
[M+HCOO]- 432.08710 206.5
[M+CH3COO]- 446.10275 222.8
[M+Na-2H]- 408.06357 190.9
[M]+ 387.08835 194.0
[M]- 387.08945 194.0
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.