CID 13229994

Brn 4603316

Structural Information

Molecular Formula
C21H19ClN6O2S
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H19ClN6O2S/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/h1-12,25-27H,(H4,23,24,28)
InChIKey
ZHAUZVBYLADINC-UHFFFAOYSA-N
Compound name
2-[4-[2-[2-(4-chlorophenyl)-1H-indol-3-yl]hydrazinyl]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.09787 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.10515 202.2
[M+Na]+ 477.08709 213.2
[M+NH4]+ 472.13169 208.2
[M+K]+ 493.06103 206.5
[M-H]- 453.09059 209.1
[M+Na-2H]- 475.07254 211.0
[M]+ 454.09732 206.1
[M]- 454.09842 206.1
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.