CID 146680699

2248184-59-8

Structural Information

Molecular Formula
C23H23F2NO4
SMILES
C1CC(CCC1[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(F)F
InChI
InChI=1S/C23H23F2NO4/c24-23(25)11-9-14(10-12-23)20(21(27)28)26-22(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20H,9-13H2,(H,26,29)(H,27,28)/t20-/m0/s1
InChIKey
UFHACDQPDBSWER-FQEVSTJZSA-N
Compound name
(2S)-2-(4,4-difluorocyclohexyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.15952 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16680 197.0
[M+Na]+ 438.14874 201.0
[M-H]- 414.15224 200.3
[M+NH4]+ 433.19334 211.3
[M+K]+ 454.12268 196.0
[M+H-H2O]+ 398.15678 187.7
[M+HCOO]- 460.15772 209.5
[M+CH3COO]- 474.17337 224.4
[M+Na-2H]- 436.13419 195.5
[M]+ 415.15897 192.4
[M]- 415.16007 192.4
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.