CID 1938151

573950-80-8

Structural Information

Molecular Formula
C20H25N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(CC)CC)C3=CC=CO3
InChI
InChI=1S/C20H25N5O2S/c1-4-24(5-2)16-11-9-15(10-12-16)21-18(26)14-28-20-23-22-19(25(20)6-3)17-8-7-13-27-17/h7-13H,4-6,14H2,1-3H3,(H,21,26)
InChIKey
JQBBDVVQFRPPKD-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)phenyl]-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

399.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18016 195.0
[M+Na]+ 422.16210 206.2
[M+NH4]+ 417.20670 200.6
[M+K]+ 438.13604 202.0
[M-H]- 398.16560 200.6
[M+Na-2H]- 420.14755 201.6
[M]+ 399.17233 198.4
[M]- 399.17343 198.4
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.