CID 569586

N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14,15)
InChIKey
KYHJEDVPYDGHQI-UHFFFAOYSA-N
Compound name
N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.06229 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.069566 149.9
[M+Na]+ 256.051508 158.6
[M-H]- 232.055014 154.7
[M+NH4]+ 251.096113 167.3
[M+K]+ 272.025448 154.8
[M+H-H2O]+ 216.059550 142.0
[M+HCOO]- 278.060491 169.0
[M+CH3COO]- 292.076141 189.3
[M+Na-2H]- 254.036956 152.5
[M]+ 233.06174142 151.9
[M]- 233.06283858 151.9
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

patents stripe