CID 200176

2,2'-pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide

Structural Information

Molecular Formula
C19H24N4S2
SMILES
C1=CC=C(C=C1)N=C(N)SCCCCCSC(=NC2=CC=CC=C2)N
InChI
InChI=1S/C19H24N4S2/c20-18(22-16-10-4-1-5-11-16)24-14-8-3-9-15-25-19(21)23-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,20,22)(H2,21,23)
InChIKey
CYFFTDPDDQKUDA-UHFFFAOYSA-N
Compound name
5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.14423 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15151 182.7
[M+Na]+ 395.13345 190.9
[M+NH4]+ 390.17805 190.4
[M+K]+ 411.10739 179.7
[M-H]- 371.13695 189.3
[M+Na-2H]- 393.11890 190.4
[M]+ 372.14368 186.4
[M]- 372.14478 186.4
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.