CID 3073636

N',n'-bis(4-bromophenyl)-n-(3-thioxo-3h-1,2,4-dithiazol-5-yl)guanidine

Structural Information

Molecular Formula
C15H10Br2N4S3
SMILES
C1=CC(=CC=C1N=C(N)N(C2=CC=C(C=C2)Br)C3=NC(=S)SS3)Br
InChI
InChI=1S/C15H10Br2N4S3/c16-9-1-5-11(6-2-9)19-13(18)21(14-20-15(22)24-23-14)12-7-3-10(17)4-8-12/h1-8H,(H2,18,19)
InChIKey
QGBAIRDRCHHLKO-UHFFFAOYSA-N
Compound name
1,2-bis(4-bromophenyl)-1-(5-sulfanylidene-1,2,4-dithiazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.84344 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.85072 144.6
[M+Na]+ 522.83266 156.9
[M-H]- 498.83616 156.2
[M+NH4]+ 517.87726 159.0
[M+K]+ 538.80660 138.0
[M+H-H2O]+ 482.84070 151.4
[M+HCOO]- 544.84164 152.4
[M+CH3COO]- 558.85729 157.8
[M+Na-2H]- 520.81811 150.8
[M]+ 499.84289 177.7
[M]- 499.84399 177.7
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.