CID 167723887

2-[(2s,4r)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4-hydroxypyrrolidin-2-yl]acetic acid

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1[C@H](CN([C@@H]1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C21H21NO5/c23-14-9-13(10-20(24)25)22(11-14)21(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,23H,9-12H2,(H,24,25)/t13-,14+/m0/s1
InChIKey
NGUYRBGRLNLSBZ-UONOGXRCSA-N
Compound name
2-[(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.3
[M+Na]+ 390.13119 192.0
[M-H]- 366.13469 191.1
[M+NH4]+ 385.17579 201.3
[M+K]+ 406.10513 187.6
[M+H-H2O]+ 350.13923 179.7
[M+HCOO]- 412.14017 201.4
[M+CH3COO]- 426.15582 211.0
[M+Na-2H]- 388.11664 183.8
[M]+ 367.14142 186.9
[M]- 367.14252 186.9
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.