CID 1987318

575463-44-4

Structural Information

Molecular Formula
C19H20N4O2S2
SMILES
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3
InChI
InChI=1S/C19H20N4O2S2/c1-3-11-23-18(16-6-5-12-26-16)21-22-19(23)27-13-17(24)20-14-7-9-15(10-8-14)25-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,20,24)
InChIKey
CKDCVOSALLTSDO-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.10278 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11006 191.8
[M+Na]+ 423.09200 203.3
[M+NH4]+ 418.13660 198.0
[M+K]+ 439.06594 195.9
[M-H]- 399.09550 195.6
[M+Na-2H]- 421.07745 198.2
[M]+ 400.10223 195.3
[M]- 400.10333 195.3
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.