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

5
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 174.4
[M+Na]+ 377.08652 187.5
[M-H]- 353.09002 176.8
[M+NH4]+ 372.13112 188.6
[M+K]+ 393.06046 178.4
[M+H-H2O]+ 337.09456 168.6
[M+HCOO]- 399.09550 184.5
[M+CH3COO]- 413.11115 184.9
[M+Na-2H]- 375.07197 176.1
[M]+ 354.09675 180.6
[M]- 354.09785 180.6
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

patents stripe