CID 385946

Nsc677418

Structural Information

Molecular Formula
C17H11N5O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C(N2S(=O)(=O)C3=CC=CC=C3)C#N)C#N
InChI
InChI=1S/C17H11N5O4S2/c18-11-15-17(21-27(23,24)13-7-3-1-4-8-13)22(16(12-19)20-15)28(25,26)14-9-5-2-6-10-14/h1-10,21H
InChIKey
NWDUSWKCEYLGNQ-UHFFFAOYSA-N
Compound name
N-[3-(benzenesulfonyl)-2,5-dicyanoimidazol-4-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.02524 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.03252 221.1
[M+Na]+ 436.01446 231.3
[M-H]- 412.01796 225.6
[M+NH4]+ 431.05906 226.7
[M+K]+ 451.98840 226.1
[M+H-H2O]+ 396.02250 203.6
[M+HCOO]- 458.02344 224.1
[M+CH3COO]- 472.03909 236.8
[M+Na-2H]- 433.99991 218.7
[M]+ 413.02469 214.5
[M]- 413.02579 214.5
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.