CID 11498681

874948-63-7

Structural Information

Molecular Formula
C50H57O4P
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=C(C=C(C=C7C(C)C)C(C)C)C(C)C)O)C(C)C
InChI
InChI=1S/C50H57O4P/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h13-32H,1-12H3,(H,51,52)
InChIKey
AGQAQYPGJDBIQR-UHFFFAOYSA-N
Compound name
13-hydroxy-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

752.3995 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.40678 296.1
[M+Na]+ 775.38872 299.0
[M-H]- 751.39222 307.0
[M+NH4]+ 770.43332 295.1
[M+K]+ 791.36266 302.3
[M+H-H2O]+ 735.39676 282.8
[M+HCOO]- 797.39770 302.0
[M+CH3COO]- 811.41335 297.1
[M+Na-2H]- 773.37417 281.5
[M]+ 752.39895 299.5
[M]- 752.40005 299.5
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

No patent data available for this compound.