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]+ 373.11513 185.3
[M+Na]+ 395.09707 196.6
[M-H]- 371.10057 193.2
[M+NH4]+ 390.14167 198.8
[M+K]+ 411.07101 189.7
[M+H-H2O]+ 355.10511 177.7
[M+HCOO]- 417.10605 199.3
[M+CH3COO]- 431.12170 196.3
[M+Na-2H]- 393.08252 181.5
[M]+ 372.10730 192.4
[M]- 372.10840 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.