CID 1212915

2-{[4-allyl-5-(2-thienyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n-(4-methylphenyl)acetamide

Structural Information

Molecular Formula
C18H18N4OS2
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3
InChI
InChI=1S/C18H18N4OS2/c1-3-10-22-17(15-5-4-11-24-15)20-21-18(22)25-12-16(23)19-14-8-6-13(2)7-9-14/h3-9,11H,1,10,12H2,2H3,(H,19,23)
InChIKey
CRIAIFLJMLPNKS-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-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

370.0922 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09948 184.4
[M+Na]+ 393.08142 196.6
[M+NH4]+ 388.12602 191.3
[M+K]+ 409.05536 188.9
[M-H]- 369.08492 188.7
[M+Na-2H]- 391.06687 191.3
[M]+ 370.09165 188.1
[M]- 370.09275 188.1
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.