CID 3067763

Brn 4560257

Structural Information

Molecular Formula
C16H19Br2N3O2S
SMILES
CCC1CCN(CC1)CN2C(=S)OC(=N2)C3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C16H19Br2N3O2S/c1-2-10-3-5-20(6-4-10)9-21-16(24)23-15(19-21)12-7-11(17)8-13(18)14(12)22/h7-8,10,22H,2-6,9H2,1H3
InChIKey
XZMWLHOKTKSXFQ-UHFFFAOYSA-N
Compound name
5-(3,5-dibromo-2-hydroxyphenyl)-3-[(4-ethylpiperidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.95648 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.96376 166.0
[M+Na]+ 497.94570 177.3
[M-H]- 473.94920 174.6
[M+NH4]+ 492.99030 177.8
[M+K]+ 513.91964 161.7
[M+H-H2O]+ 457.95374 174.2
[M+HCOO]- 519.95468 173.0
[M+CH3COO]- 533.97033 177.9
[M+Na-2H]- 495.93115 167.0
[M]+ 474.95593 201.2
[M]- 474.95703 201.2
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.