CID 2945238

477318-62-0

Structural Information

Molecular Formula
C29H23N5O3S
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C6=CC=NC=C6
InChI
InChI=1S/C29H23N5O3S/c1-18-7-9-20(10-8-18)34-28(19-11-13-30-14-12-19)32-33-29(34)38-17-27(35)31-23-16-25-22(15-26(23)36-2)21-5-3-4-6-24(21)37-25/h3-16H,17H2,1-2H3,(H,31,35)
InChIKey
HSIATCKHRSBUIM-UHFFFAOYSA-N
Compound name
N-(2-methoxydibenzofuran-3-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.15216 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.15944 223.0
[M+Na]+ 544.14138 241.5
[M+NH4]+ 539.18598 229.6
[M+K]+ 560.11532 234.0
[M-H]- 520.14488 232.3
[M+Na-2H]- 542.12683 232.9
[M]+ 521.15161 229.0
[M]- 521.15271 229.0
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.