CID 13329891

145693-67-0

Structural Information

Molecular Formula
C28H27NP2
SMILES
C1[C@@H]([C@H](CN1)P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H27NP2/c1-5-13-23(14-6-1)30(24-15-7-2-8-16-24)27-21-29-22-28(27)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-29H,21-22H2/t27-,28-/m0/s1
InChIKey
YMRKZKDKJJCIHH-NSOVKSMOSA-N
Compound name
[(3S,4S)-4-diphenylphosphanylpyrrolidin-3-yl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

439.16187 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16915 208.4
[M+Na]+ 462.15109 207.6
[M-H]- 438.15459 216.3
[M+NH4]+ 457.19569 215.3
[M+K]+ 478.12503 200.1
[M+H-H2O]+ 422.15913 191.3
[M+HCOO]- 484.16007 233.2
[M+CH3COO]- 498.17572 213.7
[M+Na-2H]- 460.13654 198.2
[M]+ 439.16132 199.9
[M]- 439.16242 199.9
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