CID 132351089

2138388-57-3

Structural Information

Molecular Formula
C27H25NO5
SMILES
COC1=CC=CC(=C1)[C@@H]2[C@@H](CCN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C27H25NO5/c1-32-18-8-6-7-17(15-18)25-23(26(29)30)13-14-28(25)27(31)33-16-24-21-11-4-2-9-19(21)20-10-3-5-12-22(20)24/h2-12,15,23-25H,13-14,16H2,1H3,(H,29,30)/t23-,25-/m1/s1
InChIKey
XZWCELPTLYPFNZ-ILBGXUMGSA-N
Compound name
(2S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.17328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.18056 206.9
[M+Na]+ 466.16250 212.1
[M-H]- 442.16600 216.0
[M+NH4]+ 461.20710 218.8
[M+K]+ 482.13644 207.2
[M+H-H2O]+ 426.17054 198.3
[M+HCOO]- 488.17148 222.4
[M+CH3COO]- 502.18713 215.2
[M+Na-2H]- 464.14795 202.7
[M]+ 443.17273 208.8
[M]- 443.17383 208.8
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.