CID 4992761

147315-50-2

Structural Information

Molecular Formula
C27H27N3O2
SMILES
CCCCCCOC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C27H27N3O2/c1-2-3-4-11-18-32-22-16-17-23(24(31)19-22)27-29-25(20-12-7-5-8-13-20)28-26(30-27)21-14-9-6-10-15-21/h5-10,12-17,19,31H,2-4,11,18H2,1H3
InChIKey
LEVFXWNQQSSNAC-UHFFFAOYSA-N
Compound name
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16695
Patents

425.21033 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21761 210.1
[M+Na]+ 448.19955 228.4
[M+NH4]+ 443.24415 216.8
[M+K]+ 464.17349 217.4
[M-H]- 424.20305 217.7
[M+Na-2H]- 446.18500 222.4
[M]+ 425.20978 215.2
[M]- 425.21088 215.2
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

patents stripe