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 167.3
[M+Na]+ 332.02465 180.2
[M-H]- 308.02815 172.1
[M+NH4]+ 327.06925 182.6
[M+K]+ 347.99859 175.5
[M+H-H2O]+ 292.03269 161.4
[M+HCOO]- 354.03363 179.7
[M+CH3COO]- 368.04928 179.3
[M+Na-2H]- 330.01010 169.7
[M]+ 309.03488 173.5
[M]- 309.03598 173.5
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.