CID 383517

Nsc671918

Structural Information

Molecular Formula
C14H10N4S4
SMILES
C1=CC=C2C(=C1)NC(=N2)SSSSC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C14H10N4S4/c1-2-6-10-9(5-1)15-13(16-10)19-21-22-20-14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)(H,17,18)
InChIKey
XKKINCGVLHEZCK-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yltetrasulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.97882 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.98610 165.7
[M+Na]+ 384.96804 181.7
[M-H]- 360.97154 167.1
[M+NH4]+ 380.01264 179.7
[M+K]+ 400.94198 170.8
[M+H-H2O]+ 344.97608 163.8
[M+HCOO]- 406.97702 167.1
[M+CH3COO]- 420.99267 175.9
[M+Na-2H]- 382.95349 168.9
[M]+ 361.97827 169.0
[M]- 361.97937 169.0
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.