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]+ 404.130416 192.0
[M+Na]+ 426.112358 197.9
[M-H]- 402.115864 195.4
[M+NH4]+ 421.156963 205.9
[M+K]+ 442.086298 193.9
[M+H-H2O]+ 386.120400 183.4
[M+HCOO]- 448.121341 205.4
[M+CH3COO]- 462.136991 219.3
[M+Na-2H]- 424.097806 187.6
[M]+ 403.12259142 191.8
[M]- 403.12368858 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.