CID 2761542

193693-60-6

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C21H21NO4/c23-20(24)12-14-6-5-11-22(14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)/t14-/m0/s1
InChIKey
ZNIGOUDZWCDFFC-AWEZNQCLSA-N
Compound name
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

351.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.154336 184.1
[M+Na]+ 374.136278 189.7
[M-H]- 350.139784 189.8
[M+NH4]+ 369.180883 200.2
[M+K]+ 390.110218 185.2
[M+H-H2O]+ 334.144320 176.9
[M+HCOO]- 396.145261 200.6
[M+CH3COO]- 410.160911 193.7
[M+Na-2H]- 372.121726 182.2
[M]+ 351.14651142 184.6
[M]- 351.14760858 184.6
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