CID 56621

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

Structural Information

Molecular Formula
C12H13N5S2
SMILES
CCSC1=NN=C(S1)N(C)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C12H13N5S2/c1-3-18-12-16-15-11(19-12)17(2)10-13-8-6-4-5-7-9(8)14-10/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
LTHCVWKKCCOSRU-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)-5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.06125 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06853 159.6
[M+Na]+ 314.05047 172.3
[M-H]- 290.05397 164.0
[M+NH4]+ 309.09507 176.1
[M+K]+ 330.02441 166.9
[M+H-H2O]+ 274.05851 153.0
[M+HCOO]- 336.05945 172.7
[M+CH3COO]- 350.07510 171.8
[M+Na-2H]- 312.03592 160.4
[M]+ 291.06070 165.6
[M]- 291.06180 165.6
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.