CID 135568351

88151-93-3

Structural Information

Molecular Formula
C21H18N6O2S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)N=NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H18N6O2S/c22-21(23)27-30(28,29)16-12-10-15(11-13-16)25-26-20-17-8-4-5-9-18(17)24-19(20)14-6-2-1-3-7-14/h1-13,24H,(H4,22,23,27)
InChIKey
UINSQVKMPZQMFI-UHFFFAOYSA-N
Compound name
2-[4-[(2-phenyl-1H-indol-3-yl)diazenyl]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12848 193.9
[M+Na]+ 441.11042 204.8
[M+NH4]+ 436.15502 200.0
[M+K]+ 457.08436 198.3
[M-H]- 417.11392 201.4
[M+Na-2H]- 439.09587 204.0
[M]+ 418.12065 197.7
[M]- 418.12175 197.7
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.