CID 174215

80410-33-9

Structural Information

Molecular Formula
C90H132NO9P3
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C2C=C(C=C3C(C)(C)C)C(C)(C)C)OCCN(CCOP4OC5=C(C=C(C=C5C(C)(C)C)C(C)(C)C)C6=C(O4)C(=CC(=C6)C(C)(C)C)C(C)(C)C)CCOP7OC8=C(C=C(C=C8C(C)(C)C)C(C)(C)C)C9=C(O7)C(=CC(=C9)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C90H132NO9P3/c1-79(2,3)55-43-61-62-44-56(80(4,5)6)50-68(86(22,23)24)74(62)96-101(95-73(61)67(49-55)85(19,20)21)92-40-37-91(38-41-93-102-97-75-63(45-57(81(7,8)9)51-69(75)87(25,26)27)64-46-58(82(10,11)12)52-70(76(64)98-102)88(28,29)30)39-42-94-103-99-77-65(47-59(83(13,14)15)53-71(77)89(31,32)33)66-48-60(84(16,17)18)54-72(78(66)100-103)90(34,35)36/h43-54H,37-42H2,1-36H3
InChIKey
YAGPRJYCDKGWJR-UHFFFAOYSA-N
Compound name
2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-N,N-bis[2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4623
Patents

1463.9115 Da
Monoisotopic Mass

29.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1464.9188 308.6
[M+Na]+ 1486.9007 309.7
[M-H]- 1462.9042 310.9
[M+NH4]+ 1481.9453 308.8
[M+K]+ 1502.8747 283.9
[M+H-H2O]+ 1446.9088 299.4
[M+HCOO]- 1508.9097 309.2
[M+CH3COO]- 1522.9254 310.2
[M+Na-2H]- 1484.8862 320.0
[M]+ 1463.9110 323.2
[M]- 1463.9120 323.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe