CID 1962207

577988-20-6

Structural Information

Molecular Formula
C22H19N5OS
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C22H19N5OS/c1-2-14-27-21(19-11-5-6-13-23-19)25-26-22(27)29-15-20(28)24-18-12-7-9-16-8-3-4-10-17(16)18/h2-13H,1,14-15H2,(H,24,28)
InChIKey
QRQOMILXMKRTBY-UHFFFAOYSA-N
Compound name
N-naphthalen-1-yl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13104 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13832 193.2
[M+Na]+ 424.12026 209.1
[M+NH4]+ 419.16486 200.0
[M+K]+ 440.09420 199.9
[M-H]- 400.12376 198.5
[M+Na-2H]- 422.10571 203.0
[M]+ 401.13049 197.5
[M]- 401.13159 197.5
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.