CID 56623

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

Structural Information

Molecular Formula
C11H11N5O2S2
SMILES
CN(C1=NC2=CC=CC=C2N1)C3=NN=C(S3)S(=O)(=O)C
InChI
InChI=1S/C11H11N5O2S2/c1-16(10-14-15-11(19-10)20(2,17)18)9-12-7-5-3-4-6-8(7)13-9/h3-6H,1-2H3,(H,12,13)
InChIKey
KZXWFFVJBBLCTP-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-N-methyl-5-methylsulfonyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.03543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04271 165.1
[M+Na]+ 332.02465 176.3
[M+NH4]+ 327.06925 171.6
[M+K]+ 347.99859 171.8
[M-H]- 308.02815 166.2
[M+Na-2H]- 330.01010 170.5
[M]+ 309.03488 167.7
[M]- 309.03598 167.7
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.