CID 56777035

Fmoc-4-piperidino-l-proline

Structural Information

Molecular Formula
C25H28N2O3
SMILES
C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)C5CCNCC5
InChI
InChI=1S/C25H28N2O3/c28-24(17-11-13-26-14-12-17)23-10-5-15-27(23)25(29)30-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,17,22-23,26H,5,10-16H2/t23-/m0/s1
InChIKey
SYTHXYZVTLCILY-QHCPKHFHSA-N
Compound name
9H-fluoren-9-ylmethyl (2S)-2-(piperidine-4-carbonyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21728 198.7
[M+Na]+ 427.19922 200.6
[M-H]- 403.20272 204.7
[M+NH4]+ 422.24382 210.2
[M+K]+ 443.17316 194.6
[M+H-H2O]+ 387.20726 189.0
[M+HCOO]- 449.20820 209.1
[M+CH3COO]- 463.22385 205.1
[M+Na-2H]- 425.18467 193.3
[M]+ 404.20945 192.6
[M]- 404.21055 192.6
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

No patent data available for this compound.