CID 56624

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

Structural Information

Molecular Formula
C13H15N5O2S2
SMILES
CCCS(=O)(=O)C1=NN=C(S1)N(C)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H15N5O2S2/c1-3-8-22(19,20)13-17-16-12(21-13)18(2)11-14-9-6-4-5-7-10(9)15-11/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKey
WHRFIVUQEFRFPV-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-N-methyl-5-propylsulfonyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07398 175.3
[M+Na]+ 360.05592 187.3
[M-H]- 336.05942 179.7
[M+NH4]+ 355.10052 189.5
[M+K]+ 376.02986 182.2
[M+H-H2O]+ 320.06396 169.0
[M+HCOO]- 382.06490 187.1
[M+CH3COO]- 396.08055 186.4
[M+Na-2H]- 358.04137 176.9
[M]+ 337.06615 182.1
[M]- 337.06725 182.1
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.