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]+ 385.169276 192.2
[M+Na]+ 407.151218 201.0
[M-H]- 383.154724 200.1
[M+NH4]+ 402.195823 202.9
[M+K]+ 423.125158 196.3
[M+H-H2O]+ 367.159260 183.0
[M+HCOO]- 429.160201 210.2
[M+CH3COO]- 443.175851 218.8
[M+Na-2H]- 405.136666 190.0
[M]+ 384.16145142 200.2
[M]- 384.16254858 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.