CID 3045449

Brn 1184382

Structural Information

Molecular Formula
C26H26N4OS
SMILES
C1COCCN1CCSC2=NC(=C(N2C3=CC=CC=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H26N4OS/c1-3-9-21(10-4-1)24-25(22-11-5-2-6-12-22)30(23-13-7-8-14-27-23)26(28-24)32-20-17-29-15-18-31-19-16-29/h1-14H,15-20H2
InChIKey
CUMRACWRYUEVOT-UHFFFAOYSA-N
Compound name
4-[2-(4,5-diphenyl-1-pyridin-2-ylimidazol-2-yl)sulfanylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.18274 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19002 205.2
[M+Na]+ 465.17196 211.3
[M-H]- 441.17546 215.2
[M+NH4]+ 460.21656 208.9
[M+K]+ 481.14590 203.6
[M+H-H2O]+ 425.18000 192.2
[M+HCOO]- 487.18094 215.4
[M+CH3COO]- 501.19659 212.2
[M+Na-2H]- 463.15741 203.3
[M]+ 442.18219 204.0
[M]- 442.18329 204.0
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.