CID 1962304

577989-05-0

Structural Information

Molecular Formula
C24H21N5O3S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C5=CC=CC=N5
InChI
InChI=1S/C24H21N5O3S/c1-3-29-23(17-9-6-7-11-25-17)27-28-24(29)33-14-22(30)26-18-13-20-16(12-21(18)31-2)15-8-4-5-10-19(15)32-20/h4-13H,3,14H2,1-2H3,(H,26,30)
InChIKey
ZVGOMQVUPDMROV-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.14378 208.3
[M+Na]+ 482.12572 220.1
[M-H]- 458.12922 217.8
[M+NH4]+ 477.17032 216.5
[M+K]+ 498.09966 214.4
[M+H-H2O]+ 442.13376 199.1
[M+HCOO]- 504.13470 224.5
[M+CH3COO]- 518.15035 218.1
[M+Na-2H]- 480.11117 209.4
[M]+ 459.13595 219.2
[M]- 459.13705 219.2
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.