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]+ 382.16490 191.1
[M+Na]+ 404.14684 196.7
[M-H]- 380.15034 196.9
[M+NH4]+ 399.19144 206.1
[M+K]+ 420.12078 192.9
[M+H-H2O]+ 364.15488 183.9
[M+HCOO]- 426.15582 207.2
[M+CH3COO]- 440.17147 216.1
[M+Na-2H]- 402.13229 188.3
[M]+ 381.15707 193.7
[M]- 381.15817 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.