CID 20556676

40703-84-2

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 313.3
[M+Na]+ 1118.6956 317.7
[M+NH4]+ 1113.7402 315.7
[M+K]+ 1134.6696 318.5
[M-H]- 1094.6991 312.6
[M+Na-2H]- 1116.6811 327.9
[M]+ 1095.7059 314.8
[M]- 1095.7069 314.8
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