CID 11081701

(s)-siphos-pe

Structural Information

Molecular Formula
C33H32NO2P
SMILES
C[C@H](C1=CC=CC=C1)N([C@H](C)C2=CC=CC=C2)P3OC4=CC=CC5=C4C6(CC5)CCC7=C6C(=CC=C7)O3
InChI
InChI=1S/C33H32NO2P/c1-23(25-11-5-3-6-12-25)34(24(2)26-13-7-4-8-14-26)37-35-29-17-9-15-27-19-21-33(31(27)29)22-20-28-16-10-18-30(36-37)32(28)33/h3-18,23-24H,19-22H2,1-2H3/t23-,24-,33?/m1/s1
InChIKey
ZXLQLIDJAURBDD-HRPAVAKOSA-N
Compound name
N,N-bis[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-12-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

505.21707 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.22435 218.8
[M+Na]+ 528.20629 222.5
[M+NH4]+ 523.25089 221.7
[M+K]+ 544.18023 218.4
[M-H]- 504.20979 221.7
[M+Na-2H]- 526.19174 218.0
[M]+ 505.21652 220.2
[M]- 505.21762 220.2
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