CID 3076729

Ethanone, 2-(5-(methylamino)-1,3,4-thiadiazol-2-yl)-1-phenyl-, monohydrobromide

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CNC1=NN=C(S1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3OS/c1-12-11-14-13-10(16-11)7-9(15)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)
InChIKey
ZFTMNFCRZRPLED-UHFFFAOYSA-N
Compound name
2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06229 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06957 150.2
[M+Na]+ 256.05151 162.0
[M+NH4]+ 251.09611 158.2
[M+K]+ 272.02545 155.6
[M-H]- 232.05501 153.3
[M+Na-2H]- 254.03696 157.6
[M]+ 233.06174 153.0
[M]- 233.06284 153.0
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.