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 195.1
[M+Na]+ 428.18322 197.3
[M-H]- 404.18672 203.0
[M+NH4]+ 423.22782 202.2
[M+K]+ 444.15716 195.7
[M+H-H2O]+ 388.19126 182.4
[M+HCOO]- 450.19220 208.2
[M+CH3COO]- 464.20785 223.3
[M+Na-2H]- 426.16867 189.9
[M]+ 405.19345 202.7
[M]- 405.19455 202.7
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.