CID 135429936

Nsc620306

Structural Information

Molecular Formula
C15H13IN4O6S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C(=CC(=C2)I)[N+](=O)[O-])O
InChI
InChI=1S/C15H13IN4O6S/c1-9(21)18-12-2-4-13(5-3-12)27(25,26)19-17-8-10-6-11(16)7-14(15(10)22)20(23)24/h2-8,19,22H,1H3,(H,18,21)/b17-8+
InChIKey
JFEXLGYUCKKLPV-CAOOACKPSA-N
Compound name
N-[4-[[(E)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.96005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.96733 209.3
[M+Na]+ 526.94927 206.4
[M-H]- 502.95277 208.5
[M+NH4]+ 521.99387 213.5
[M+K]+ 542.92321 204.2
[M+H-H2O]+ 486.95731 200.2
[M+HCOO]- 548.95825 224.2
[M+CH3COO]- 562.97390 223.7
[M+Na-2H]- 524.93472 202.2
[M]+ 503.95950 206.0
[M]- 503.96060 206.0
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.