CID 20556676

Phenol, 2,2',2''-(1,3,5-triazine-2,4,6-triyltris(oxy(3-(1,1-dimethylethyl)-5-methyl-2,1-phenylene)methylene))tris(6-(1,1-dimethylethyl)-4-methyl-

Structural Information

Molecular Formula
C72H93N3O6
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC3=NC(=NC(=N3)OC4=C(C=C(C=C4C(C)(C)C)C)CC5=C(C(=CC(=C5)C)C(C)(C)C)O)OC6=C(C=C(C=C6C(C)(C)C)C)CC7=C(C(=CC(=C7)C)C(C)(C)C)O
InChI
InChI=1S/C72H93N3O6/c1-40-25-46(58(76)52(31-40)67(7,8)9)37-49-28-43(4)34-55(70(16,17)18)61(49)79-64-73-65(80-62-50(29-44(5)35-56(62)71(19,20)21)38-47-26-41(2)32-53(59(47)77)68(10,11)12)75-66(74-64)81-63-51(30-45(6)36-57(63)72(22,23)24)39-48-27-42(3)33-54(60(48)78)69(13,14)15/h25-36,76-78H,37-39H2,1-24H3
InChIKey
OOCWAVBPKVUDLO-UHFFFAOYSA-N
Compound name
2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

1095.7064 Da
Monoisotopic Mass

22.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1096.7137 294.9
[M+Na]+ 1118.6956 315.2
[M-H]- 1094.6991 300.3
[M+NH4]+ 1113.7402 302.6
[M+K]+ 1134.6696 284.1
[M+H-H2O]+ 1078.7037 276.7
[M+HCOO]- 1140.7046 303.2
[M+CH3COO]- 1154.7203 349.1
[M+Na-2H]- 1116.6811 317.4
[M]+ 1095.7059 332.8
[M]- 1095.7069 332.8
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