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
3
Annotation Hits

0
References

17149
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 208.6
[M+Na]+ 448.19955 214.6
[M-H]- 424.20305 215.1
[M+NH4]+ 443.24415 212.6
[M+K]+ 464.17349 206.0
[M+H-H2O]+ 408.20759 194.4
[M+HCOO]- 470.20853 225.1
[M+CH3COO]- 484.22418 215.5
[M+Na-2H]- 446.18500 211.1
[M]+ 425.20978 209.9
[M]- 425.21088 209.9
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

patents stripe