CID 1840675

573935-42-9

Structural Information

Molecular Formula
C23H20N4OS2
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=CS4
InChI
InChI=1S/C23H20N4OS2/c1-2-14-27-22(20-13-8-15-29-20)25-26-23(27)30-16-21(28)24-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h2-13,15H,1,14,16H2,(H,24,28)
InChIKey
FSPOZUNJIDPRPK-UHFFFAOYSA-N
Compound name
N-(2-phenylphenyl)-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

432.10785 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11513 200.7
[M+Na]+ 455.09707 210.9
[M-H]- 431.10057 211.0
[M+NH4]+ 450.14167 210.9
[M+K]+ 471.07101 202.0
[M+H-H2O]+ 415.10511 192.1
[M+HCOO]- 477.10605 215.0
[M+CH3COO]- 491.12170 210.3
[M+Na-2H]- 453.08252 197.7
[M]+ 432.10730 205.9
[M]- 432.10840 205.9
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.