CID 135568350

Brn 4600238

Structural Information

Molecular Formula
C21H17ClN6O2S
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)N=NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H17ClN6O2S/c22-14-7-5-13(6-8-14)19-20(17-3-1-2-4-18(17)25-19)27-26-15-9-11-16(12-10-15)31(29,30)28-21(23)24/h1-12,25H,(H4,23,24,28)
InChIKey
BHTTVLBPYYRKQO-UHFFFAOYSA-N
Compound name
2-[4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.0822 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.08948 204.4
[M+Na]+ 475.07142 213.4
[M-H]- 451.07492 216.3
[M+NH4]+ 470.11602 215.3
[M+K]+ 491.04536 206.1
[M+H-H2O]+ 435.07946 195.4
[M+HCOO]- 497.08040 223.9
[M+CH3COO]- 511.09605 214.2
[M+Na-2H]- 473.05687 210.0
[M]+ 452.08165 208.6
[M]- 452.08275 208.6
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.