CID 1996738

586997-01-5

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)(C)C)C3=CC=CO3
InChI
InChI=1S/C20H24N4O2S/c1-5-24-18(16-11-8-12-26-16)22-23-19(24)27-13-17(25)21-15-10-7-6-9-14(15)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,21,25)
InChIKey
DGEKWRTZPSUOLP-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.162 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 192.5
[M+Na]+ 407.15122 204.5
[M+NH4]+ 402.19582 198.2
[M+K]+ 423.12516 200.6
[M-H]- 383.15472 197.1
[M+Na-2H]- 405.13667 199.0
[M]+ 384.16145 196.0
[M]- 384.16255 196.0
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.