CID 3076731

Brn 4785839

Structural Information

Molecular Formula
C16H13N3OS
SMILES
C1=CC=C(C=C1)C(=O)CC2=NN=C(S2)NC3=CC=CC=C3
InChI
InChI=1S/C16H13N3OS/c20-14(12-7-3-1-4-8-12)11-15-18-19-16(21-15)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)
InChIKey
AOIBZAZYUCXJCP-UHFFFAOYSA-N
Compound name
2-(5-anilino-1,3,4-thiadiazol-2-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.07794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08522 165.3
[M+Na]+ 318.06716 179.2
[M+NH4]+ 313.11176 173.7
[M+K]+ 334.04110 171.2
[M-H]- 294.07066 171.1
[M+Na-2H]- 316.05261 175.8
[M]+ 295.07739 169.4
[M]- 295.07849 169.4
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.