CID 154578272

2137769-12-9

Structural Information

Molecular Formula
C23H25NO4
SMILES
CCC[C@@H]1CN(C[C@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO4/c1-2-7-15-12-24(13-20(15)22(25)26)23(27)28-14-21-18-10-5-3-8-16(18)17-9-4-6-11-19(17)21/h3-6,8-11,15,20-21H,2,7,12-14H2,1H3,(H,25,26)/t15-,20-/m1/s1
InChIKey
KBIQQHOMCBLXPY-FOIQADDNSA-N
Compound name
(3S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-propylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 193.4
[M+Na]+ 402.16756 198.9
[M-H]- 378.17106 199.1
[M+NH4]+ 397.21216 208.6
[M+K]+ 418.14150 194.0
[M+H-H2O]+ 362.17560 186.2
[M+HCOO]- 424.17654 209.1
[M+CH3COO]- 438.19219 216.9
[M+Na-2H]- 400.15301 189.8
[M]+ 379.17779 194.9
[M]- 379.17889 194.9
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.