CID 56626

1h-benzimidazole-2-methanamine, n-(5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C12H13N5O2S2
SMILES
CCS(=O)(=O)C1=NN=C(S1)N(C)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H13N5O2S2/c1-3-21(18,19)12-16-15-11(20-12)17(2)10-13-8-6-4-5-7-9(8)14-10/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
GMTSZANVJRTSGQ-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-5-ethylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.05106 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05834 171.3
[M+Na]+ 346.04028 183.8
[M-H]- 322.04378 175.9
[M+NH4]+ 341.08488 186.0
[M+K]+ 362.01422 178.9
[M+H-H2O]+ 306.04832 165.2
[M+HCOO]- 368.04926 183.4
[M+CH3COO]- 382.06491 182.9
[M+Na-2H]- 344.02573 173.3
[M]+ 323.05051 177.8
[M]- 323.05161 177.8
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.