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]+ 416.166796 197.0
[M+Na]+ 438.148738 201.0
[M-H]- 414.152244 200.3
[M+NH4]+ 433.193343 211.3
[M+K]+ 454.122678 196.0
[M+H-H2O]+ 398.156780 187.7
[M+HCOO]- 460.157721 209.5
[M+CH3COO]- 474.173371 224.4
[M+Na-2H]- 436.134186 195.5
[M]+ 415.15897142 192.4
[M]- 415.16006858 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.