CID 103667971

(3r)-3-(4-chloro-3-fluorophenyl)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

Structural Information

Molecular Formula
C24H19ClFNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=CC(=C(C=C4)Cl)F
InChI
InChI=1S/C24H19ClFNO4/c25-20-10-9-14(11-21(20)26)22(12-23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKey
MSORMDXVVIITTO-JOCHJYFZSA-N
Compound name
(3R)-3-(4-chloro-3-fluorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.09866 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.10594 201.8
[M+Na]+ 462.08788 208.7
[M-H]- 438.09138 207.6
[M+NH4]+ 457.13248 214.5
[M+K]+ 478.06182 202.1
[M+H-H2O]+ 422.09592 193.7
[M+HCOO]- 484.09686 214.9
[M+CH3COO]- 498.11251 228.7
[M+Na-2H]- 460.07333 201.0
[M]+ 439.09811 205.6
[M]- 439.09921 205.6
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.