CID 1071840

557069-45-1

Structural Information

Molecular Formula
C18H20N4O2S
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=CO3
InChI
InChI=1S/C18H20N4O2S/c1-3-13-8-5-6-9-14(13)19-16(23)12-25-18-21-20-17(22(18)4-2)15-10-7-11-24-15/h5-11H,3-4,12H2,1-2H3,(H,19,23)
InChIKey
MWZZQXIAIYIRIE-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1307 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 183.4
[M+Na]+ 379.11992 196.2
[M+NH4]+ 374.16452 189.7
[M+K]+ 395.09386 191.4
[M-H]- 355.12342 188.6
[M+Na-2H]- 377.10537 190.4
[M]+ 356.13015 187.1
[M]- 356.13125 187.1
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.