CID 89668655

1446478-31-4

Structural Information

Molecular Formula
C22H23NO5
SMILES
CCO[C@@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO5/c1-2-27-14-11-20(21(24)25)23(12-14)22(26)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,2,11-13H2,1H3,(H,24,25)/t14-,20+/m1/s1
InChIKey
GANZFSNGFPNJGI-VLIAUNLRSA-N
Compound name
(2S,4R)-4-ethoxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

381.15762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 190.5
[M+Na]+ 404.14684 200.3
[M+NH4]+ 399.19144 196.8
[M+K]+ 420.12078 198.5
[M-H]- 380.15034 192.0
[M+Na-2H]- 402.13229 192.4
[M]+ 381.15707 192.0
[M]- 381.15817 192.0
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