CID 1964683

571195-83-0

Structural Information

Molecular Formula
C18H20N4OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)C3=CC=CS3
InChI
InChI=1S/C18H20N4OS2/c1-4-22-17(15-6-5-9-24-15)20-21-18(22)25-11-16(23)19-14-8-7-12(2)13(3)10-14/h5-10H,4,11H2,1-3H3,(H,19,23)
InChIKey
CHLDJJOZRIQELV-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.10785 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.115126 185.3
[M+Na]+ 395.097068 196.6
[M-H]- 371.100574 193.2
[M+NH4]+ 390.141673 198.8
[M+K]+ 411.071008 189.7
[M+H-H2O]+ 355.105110 177.7
[M+HCOO]- 417.106051 199.3
[M+CH3COO]- 431.121701 196.3
[M+Na-2H]- 393.082516 181.5
[M]+ 372.10730142 192.4
[M]- 372.10839858 192.4
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.