CID 135429937

Nsc620307

Structural Information

Molecular Formula
C15H14IN3O7S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N/N=C/C2=C(C(=CC(=C2)I)[N+](=O)[O-])O)OC
InChI
InChI=1S/C15H14IN3O7S/c1-25-13-4-3-11(7-14(13)26-2)27(23,24)18-17-8-9-5-10(16)6-12(15(9)20)19(21)22/h3-8,18,20H,1-2H3/b17-8+
InChIKey
HTJQBAOTYJAWOG-CAOOACKPSA-N
Compound name
N-[(E)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.95972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.96700 209.9
[M+Na]+ 529.94894 208.3
[M-H]- 505.95244 209.5
[M+NH4]+ 524.99354 214.6
[M+K]+ 545.92288 206.8
[M+H-H2O]+ 489.95698 200.9
[M+HCOO]- 551.95792 224.9
[M+CH3COO]- 565.97357 222.9
[M+Na-2H]- 527.93439 202.8
[M]+ 506.95917 210.3
[M]- 506.96027 210.3
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.