CID 3069493

84806-81-5

Structural Information

Molecular Formula
C15H16N6O2S
SMILES
CSC1=NN=C(O1)C(=O)N2CCN(CC2)C3=CC=CC4=C3N=CN4
InChI
InChI=1S/C15H16N6O2S/c1-24-15-19-18-13(23-15)14(22)21-7-5-20(6-8-21)11-4-2-3-10-12(11)17-9-16-10/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKey
CYPPPBJLTIMBNB-UHFFFAOYSA-N
Compound name
[4-(1H-benzimidazol-4-yl)piperazin-1-yl]-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11281 177.2
[M+Na]+ 367.09475 187.4
[M-H]- 343.09825 180.9
[M+NH4]+ 362.13935 185.8
[M+K]+ 383.06869 182.6
[M+H-H2O]+ 327.10279 168.2
[M+HCOO]- 389.10373 186.2
[M+CH3COO]- 403.11938 186.5
[M+Na-2H]- 365.08020 175.3
[M]+ 344.10498 178.9
[M]- 344.10608 178.9
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.