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 200.5
[M+Na]+ 477.08709 208.2
[M-H]- 453.09059 209.7
[M+NH4]+ 472.13169 210.0
[M+K]+ 493.06103 200.2
[M+H-H2O]+ 437.09513 192.3
[M+HCOO]- 499.09607 217.0
[M+CH3COO]- 513.11172 209.1
[M+Na-2H]- 475.07254 206.0
[M]+ 454.09732 202.1
[M]- 454.09842 202.1
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.