CID 3731914

618441-14-8

Structural Information

Molecular Formula
C19H19N5OS
SMILES
CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=NC=C3
InChI
InChI=1S/C19H19N5OS/c1-3-12-24-18(16-7-5-4-6-14(16)2)22-23-19(24)26-13-17(25)21-15-8-10-20-11-9-15/h3-11H,1,12-13H2,2H3,(H,20,21,25)
InChIKey
DILITXCXCIOOQT-UHFFFAOYSA-N
Compound name
2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.13104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13832 185.9
[M+Na]+ 388.12026 199.5
[M+NH4]+ 383.16486 191.8
[M+K]+ 404.09420 191.7
[M-H]- 364.12376 189.9
[M+Na-2H]- 386.10571 194.2
[M]+ 365.13049 189.3
[M]- 365.13159 189.3
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.