CID 2019094

618879-86-0

Structural Information

Molecular Formula
C19H20N4OS2
SMILES
CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3)C
InChI
InChI=1S/C19H20N4OS2/c1-4-7-23-18(16-6-5-8-25-16)21-22-19(23)26-12-17(24)20-15-10-13(2)9-14(3)11-15/h4-6,8-11H,1,7,12H2,2-3H3,(H,20,24)
InChIKey
IPRBNSZEKWHVFG-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-[(4-prop-2-enyl-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

384.10785 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11513 189.7
[M+Na]+ 407.09707 202.0
[M+NH4]+ 402.14167 196.4
[M+K]+ 423.07101 194.3
[M-H]- 383.10057 194.1
[M+Na-2H]- 405.08252 196.1
[M]+ 384.10730 193.5
[M]- 384.10840 193.5
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.