CID 139022528

2343963-68-6

Structural Information

Molecular Formula
C25H27NO4
SMILES
C1CC(C1)C[C@H]2C[C@H](N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H27NO4/c27-24(28)23-13-17(12-16-6-5-7-16)14-26(23)25(29)30-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-4,8-11,16-17,22-23H,5-7,12-15H2,(H,27,28)/t17-,23-/m0/s1
InChIKey
VQMIQGDQGBTLSK-SBUREZEXSA-N
Compound name
(2S,4S)-4-(cyclobutylmethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.194 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.20128 197.5
[M+Na]+ 428.18322 202.9
[M+NH4]+ 423.22782 200.5
[M+K]+ 444.15716 202.0
[M-H]- 404.18672 198.1
[M+Na-2H]- 426.16867 197.6
[M]+ 405.19345 197.0
[M]- 405.19455 197.0
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.