CID 13229992

Brn 4594932

Structural Information

Molecular Formula
C21H20N6O2S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H20N6O2S/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/h1-13,24-26H,(H4,22,23,27)
InChIKey
WHWWGCSNBCUPPB-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-phenyl-1H-indol-3-yl)hydrazinyl]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.13684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14412 189.9
[M+Na]+ 443.12606 196.2
[M-H]- 419.12956 198.9
[M+NH4]+ 438.17066 199.5
[M+K]+ 459.10000 189.3
[M+H-H2O]+ 403.13410 180.8
[M+HCOO]- 465.13504 210.9
[M+CH3COO]- 479.15069 198.8
[M+Na-2H]- 441.11151 196.8
[M]+ 420.13629 188.6
[M]- 420.13739 188.6
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.