CID 2734535

(2s)-2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}-3-(2-fluorophenyl)propanoic acid

Structural Information

Molecular Formula
C24H20FNO4
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F
InChI
InChI=1S/C24H20FNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
ARHOAMSIDCQWEW-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

405.13763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14491 195.2
[M+Na]+ 428.12685 200.2
[M-H]- 404.13035 200.6
[M+NH4]+ 423.17145 207.9
[M+K]+ 444.10079 195.1
[M+H-H2O]+ 388.13489 186.0
[M+HCOO]- 450.13583 212.7
[M+CH3COO]- 464.15148 224.0
[M+Na-2H]- 426.11230 195.4
[M]+ 405.13708 195.7
[M]- 405.13818 195.7
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

patents stripe