CID 1729268

87245-68-9

Structural Information

Molecular Formula
C18H18N4S2
SMILES
C1=CC=C2C(=C1)NC(=N2)SCCCCSC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H18N4S2/c1-2-8-14-13(7-1)19-17(20-14)23-11-5-6-12-24-18-21-15-9-3-4-10-16(15)22-18/h1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22)
InChIKey
GXAMPPKUVUNBRQ-UHFFFAOYSA-N
Compound name
2-[4-(1H-benzimidazol-2-ylsulfanyl)butylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.0973 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10458 175.6
[M+Na]+ 377.08652 190.4
[M+NH4]+ 372.13112 184.3
[M+K]+ 393.06046 181.1
[M-H]- 353.09002 178.9
[M+Na-2H]- 375.07197 182.1
[M]+ 354.09675 179.7
[M]- 354.09785 179.7
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

patents stripe