CID 10939369

(2s,4s)-(-)-4-diphenylphosphino-2-(diphenylphosphinomethyl)pyrrolidine

Structural Information

Molecular Formula
C29H29NP2
SMILES
C1[C@@H](CN[C@@H]1CP(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H29NP2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-29(22-30-24)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29-30H,21-23H2/t24-,29-/m0/s1
InChIKey
PQHKXSOICTYGQD-OUTSHDOLSA-N
Compound name
[(3S,5S)-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

70
Patents

453.17752 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.18480 212.9
[M+Na]+ 476.16674 211.6
[M-H]- 452.17024 220.6
[M+NH4]+ 471.21134 219.2
[M+K]+ 492.14068 203.9
[M+H-H2O]+ 436.17478 195.5
[M+HCOO]- 498.17572 237.3
[M+CH3COO]- 512.19137 217.7
[M+Na-2H]- 474.15219 202.1
[M]+ 453.17697 204.6
[M]- 453.17807 204.6
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.