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

72
Patents

453.17752 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.184796 212.9
[M+Na]+ 476.166738 211.6
[M-H]- 452.170244 220.6
[M+NH4]+ 471.211343 219.2
[M+K]+ 492.140678 203.9
[M+H-H2O]+ 436.174780 195.5
[M+HCOO]- 498.175721 237.3
[M+CH3COO]- 512.191371 217.7
[M+Na-2H]- 474.152186 202.1
[M]+ 453.17697142 204.6
[M]- 453.17806858 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

literature stripe

Patent stripe

patents stripe