CID 11157660

Phosphonium, ((3'r)-1'-((1,1-dimethylethoxy)carbonyl)-2-oxo(1,3'-bipyrrolidin)-3-yl)triphenyl-, bromide

Structural Information

Molecular Formula
C31H36N2O3P
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)N2CCC(C2=O)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H36N2O3P/c1-31(2,3)36-30(35)32-21-19-24(23-32)33-22-20-28(29(33)34)37(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,24,28H,19-23H2,1-3H3/q+1/t24-,28?/m1/s1
InChIKey
ZGUHKEQGEZGDEP-RIBGEGAISA-N
Compound name
[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

515.24634 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.25362 230.3
[M+Na]+ 538.23556 229.7
[M-H]- 514.23906 241.1
[M+NH4]+ 533.28016 235.4
[M+K]+ 554.20950 219.8
[M+H-H2O]+ 498.24360 218.9
[M+HCOO]- 560.24454 246.3
[M+CH3COO]- 574.26019 234.0
[M+Na-2H]- 536.22101 225.1
[M]+ 515.24579 224.6
[M]- 515.24689 224.6
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

patents stripe