CID 165889163

2580090-77-1

Structural Information

Molecular Formula
C22H23NO5
SMILES
COC[C@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H23NO5/c1-27-12-14-10-20(21(24)25)23(11-14)22(26)28-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20H,10-13H2,1H3,(H,24,25)/t14-,20-/m0/s1
InChIKey
ILBWCPXUZRKDMY-XOBRGWDASA-N
Compound name
(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 191.1
[M+Na]+ 404.146838 196.7
[M-H]- 380.150344 196.9
[M+NH4]+ 399.191443 206.1
[M+K]+ 420.120778 192.9
[M+H-H2O]+ 364.154880 183.9
[M+HCOO]- 426.155821 207.2
[M+CH3COO]- 440.171471 216.1
[M+Na-2H]- 402.132286 188.3
[M]+ 381.15707142 193.7
[M]- 381.15816858 193.7
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.