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]+ 380.185616 193.4
[M+Na]+ 402.167558 198.9
[M-H]- 378.171064 199.1
[M+NH4]+ 397.212163 208.6
[M+K]+ 418.141498 194.0
[M+H-H2O]+ 362.175600 186.2
[M+HCOO]- 424.176541 209.1
[M+CH3COO]- 438.192191 216.9
[M+Na-2H]- 400.153006 189.8
[M]+ 379.17779142 194.9
[M]- 379.17888858 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.