CID 3050395

66392-38-9

Structural Information

Molecular Formula
C12H13N2S
SMILES
C[N+]1=C(N(C2=CC=CC=C21)C=C)SC=C
InChI
InChI=1S/C12H13N2S/c1-4-14-11-9-7-6-8-10(11)13(3)12(14)15-5-2/h4-9H,1-2H2,3H3/q+1
InChIKey
DWYHZSOAKXUFSO-UHFFFAOYSA-N
Compound name
1-ethenyl-2-ethenylsulfanyl-3-methylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.07994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08722 145.5
[M+Na]+ 240.06916 158.0
[M-H]- 216.07266 149.1
[M+NH4]+ 235.11376 165.7
[M+K]+ 256.04310 147.1
[M+H-H2O]+ 200.07720 142.0
[M+HCOO]- 262.07814 163.7
[M+CH3COO]- 276.09379 181.6
[M+Na-2H]- 238.05461 150.7
[M]+ 217.07939 149.2
[M]- 217.08049 149.2
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.