CID 3072300

Acetamide, 2-(methyl(phenylmethyl)amino)-n-(5-methyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C13H16N4OS
SMILES
CC1=NN=C(S1)NC(=O)CN(C)CC2=CC=CC=C2
InChI
InChI=1S/C13H16N4OS/c1-10-15-16-13(19-10)14-12(18)9-17(2)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,16,18)
InChIKey
XYALXNFXIIVWPJ-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11178 162.4
[M+Na]+ 299.09372 169.2
[M-H]- 275.09722 168.2
[M+NH4]+ 294.13832 178.2
[M+K]+ 315.06766 166.3
[M+H-H2O]+ 259.10176 153.4
[M+HCOO]- 321.10270 182.2
[M+CH3COO]- 335.11835 203.6
[M+Na-2H]- 297.07917 164.2
[M]+ 276.10395 165.6
[M]- 276.10505 165.6
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.