CID 1964455

618413-93-7

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CO3
InChI
InChI=1S/C20H24N4O2S/c1-3-5-7-15-9-11-16(12-10-15)21-18(25)14-27-20-23-22-19(24(20)4-2)17-8-6-13-26-17/h6,8-13H,3-5,7,14H2,1-2H3,(H,21,25)
InChIKey
GTAGQTNTZUWENI-UHFFFAOYSA-N
Compound name
N-(4-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 192.2
[M+Na]+ 407.15122 201.0
[M-H]- 383.15472 200.1
[M+NH4]+ 402.19582 202.9
[M+K]+ 423.12516 196.3
[M+H-H2O]+ 367.15926 183.0
[M+HCOO]- 429.16020 210.2
[M+CH3COO]- 443.17585 218.8
[M+Na-2H]- 405.13667 190.0
[M]+ 384.16145 200.2
[M]- 384.16255 200.2
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.