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
4
Annotation Hits

0
References

14184
Patents

425.21033 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.217606 208.6
[M+Na]+ 448.199548 214.6
[M-H]- 424.203054 215.1
[M+NH4]+ 443.244153 212.6
[M+K]+ 464.173488 206.0
[M+H-H2O]+ 408.207590 194.4
[M+HCOO]- 470.208531 225.1
[M+CH3COO]- 484.224181 215.5
[M+Na-2H]- 446.184996 211.1
[M]+ 425.20978142 209.9
[M]- 425.21087858 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