CID 2018923

618879-82-6

Structural Information

Molecular Formula
C18H18N4O2S2
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3
InChI
InChI=1S/C18H18N4O2S2/c1-3-10-22-17(15-5-4-11-25-15)20-21-18(22)26-12-16(23)19-13-6-8-14(24-2)9-7-13/h3-9,11H,1,10,12H2,2H3,(H,19,23)
InChIKey
IQKLSJVCMONVFT-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-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

386.08713 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09441 187.8
[M+Na]+ 409.07635 199.5
[M+NH4]+ 404.12095 194.1
[M+K]+ 425.05029 192.3
[M-H]- 385.07985 191.6
[M+Na-2H]- 407.06180 194.3
[M]+ 386.08658 191.3
[M]- 386.08768 191.3
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.