CID 101472

64387-67-3

Structural Information

Molecular Formula
C11H11N3OS2
SMILES
CC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2
InChI
InChI=1S/C11H11N3OS2/c1-8(15)12-10-13-14-11(17-10)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,15)
InChIKey
CXGNGMANBKYIEF-UHFFFAOYSA-N
Compound name
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

32
Patents

265.03436 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.041636 155.0
[M+Na]+ 288.023578 164.2
[M-H]- 264.027084 159.5
[M+NH4]+ 283.068183 171.4
[M+K]+ 303.997518 158.9
[M+H-H2O]+ 248.031620 147.7
[M+HCOO]- 310.032561 168.5
[M+CH3COO]- 324.048211 166.7
[M+Na-2H]- 286.009026 155.8
[M]+ 265.03381142 157.9
[M]- 265.03490858 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe