CID 56622

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

Structural Information

Molecular Formula
C13H15N5S2
SMILES
CCCSC1=NN=C(S1)N(C)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H15N5S2/c1-3-8-19-13-17-16-12(20-13)18(2)11-14-9-6-4-5-7-10(9)15-11/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKey
LHNPGWNKCYSUKV-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.07687 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08415 163.6
[M+Na]+ 328.06609 175.8
[M-H]- 304.06959 167.8
[M+NH4]+ 323.11069 179.5
[M+K]+ 344.04003 170.3
[M+H-H2O]+ 288.07413 156.8
[M+HCOO]- 350.07507 176.4
[M+CH3COO]- 364.09072 175.4
[M+Na-2H]- 326.05154 164.0
[M]+ 305.07632 169.9
[M]- 305.07742 169.9
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.