CID 9576656

Usaf el-5

Structural Information

Molecular Formula
C11H14N4S2
SMILES
C1=CC=C2C(=C1)NC(=N2)SCCCS/N=C/N
InChI
InChI=1S/C11H14N4S2/c12-8-13-17-7-3-6-16-11-14-9-4-1-2-5-10(9)15-11/h1-2,4-5,8H,3,6-7H2,(H2,12,13)(H,14,15)
InChIKey
UGRSEWGSKJZACM-UHFFFAOYSA-N
Compound name
N'-[3-(1H-benzimidazol-2-ylsulfanyl)propylsulfanyl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07326 151.9
[M+Na]+ 289.05520 161.6
[M-H]- 265.05870 153.3
[M+NH4]+ 284.09980 169.2
[M+K]+ 305.02914 154.8
[M+H-H2O]+ 249.06324 145.1
[M+HCOO]- 311.06418 166.3
[M+CH3COO]- 325.07983 163.3
[M+Na-2H]- 287.04065 155.4
[M]+ 266.06543 155.1
[M]- 266.06653 155.1
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.