CID 52416482

5-(4-(methylsulfonyl)benzyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)CC2=NN=C(O2)N
InChI
InChI=1S/C10H11N3O3S/c1-17(14,15)8-4-2-7(3-5-8)6-9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKey
FMGPBEYBLVZGNQ-UHFFFAOYSA-N
Compound name
5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05211 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 154.3
[M+Na]+ 276.04133 165.8
[M+NH4]+ 271.08593 160.6
[M+K]+ 292.01527 161.7
[M-H]- 252.04483 156.9
[M+Na-2H]- 274.02678 159.8
[M]+ 253.05156 157.0
[M]- 253.05266 157.0
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.