CID 2060933

618439-51-3

Structural Information

Molecular Formula
C18H18N4OS
SMILES
CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C18H18N4OS/c1-13-8-6-7-11-16(13)22-14(2)20-21-18(22)24-12-17(23)19-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,19,23)
InChIKey
UHSAVBLTPRIORA-UHFFFAOYSA-N
Compound name
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 179.2
[M+Na]+ 361.10934 188.0
[M-H]- 337.11284 185.9
[M+NH4]+ 356.15394 190.9
[M+K]+ 377.08328 181.5
[M+H-H2O]+ 321.11738 169.4
[M+HCOO]- 383.11832 196.1
[M+CH3COO]- 397.13397 189.6
[M+Na-2H]- 359.09479 179.5
[M]+ 338.11957 182.3
[M]- 338.12067 182.3
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.