CID 165918352

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propan-2-yloxy)benzamide

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CC1=NN=C(S1)NC(=O)C2=CC=CC=C2OC(C)C
InChI
InChI=1S/C13H15N3O2S/c1-8(2)18-11-7-5-4-6-10(11)12(17)14-13-16-15-9(3)19-13/h4-8H,1-3H3,(H,14,16,17)
InChIKey
AVJCPMCVSLCAHB-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.095776 162.4
[M+Na]+ 300.077718 170.4
[M-H]- 276.081224 167.3
[M+NH4]+ 295.122323 178.0
[M+K]+ 316.051658 167.2
[M+H-H2O]+ 260.085760 154.3
[M+HCOO]- 322.086701 179.9
[M+CH3COO]- 336.102351 199.4
[M+Na-2H]- 298.063166 162.4
[M]+ 277.08795142 166.2
[M]- 277.08904858 166.2
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.