CID 164186476

2382632-22-4

Structural Information

Molecular Formula
C21H19F2NO5
SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(F)F
InChI
InChI=1S/C21H19F2NO5/c22-20(23)29-12-9-18(19(25)26)24(10-12)21(27)28-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18,20H,9-11H2,(H,25,26)/t12-,18+/m1/s1
InChIKey
HSMLVCUIBHNDEV-XIKOKIGWSA-N
Compound name
(2S,4R)-4-(difluoromethoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.12314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13042 192.0
[M+Na]+ 426.11236 197.9
[M-H]- 402.11586 195.4
[M+NH4]+ 421.15696 205.9
[M+K]+ 442.08630 193.9
[M+H-H2O]+ 386.12040 183.4
[M+HCOO]- 448.12134 205.4
[M+CH3COO]- 462.13699 219.3
[M+Na-2H]- 424.09781 187.6
[M]+ 403.12259 191.8
[M]- 403.12369 191.8
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.