CID 135429807

Nsc 18080

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
COC1=C(C=CC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)N)O
InChI
InChI=1S/C14H15N3O4S/c1-21-14-8-10(2-7-13(14)18)9-16-17-22(19,20)12-5-3-11(15)4-6-12/h2-9,17-18H,15H2,1H3/b16-9+
InChIKey
MVSWEYUVMLRICA-CXUHLZMHSA-N
Compound name
4-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.07834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 169.8
[M+Na]+ 344.06756 177.1
[M-H]- 320.07106 176.4
[M+NH4]+ 339.11216 183.2
[M+K]+ 360.04150 172.6
[M+H-H2O]+ 304.07560 161.5
[M+HCOO]- 366.07654 190.9
[M+CH3COO]- 380.09219 210.0
[M+Na-2H]- 342.05301 174.7
[M]+ 321.07779 171.8
[M]- 321.07889 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.