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 193.5
[M+Na]+ 441.11042 201.1
[M-H]- 417.11392 205.2
[M+NH4]+ 436.15502 204.5
[M+K]+ 457.08436 194.9
[M+H-H2O]+ 401.11846 183.6
[M+HCOO]- 463.11940 217.6
[M+CH3COO]- 477.13505 203.5
[M+Na-2H]- 439.09587 200.6
[M]+ 418.12065 194.7
[M]- 418.12175 194.7
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.