CID 146155505

2350147-82-7

Structural Information

Molecular Formula
C28H22FNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C5=CC=CC=C45)F)C(=O)O
InChI
InChI=1S/C28H22FNO4/c29-25-14-13-17(18-7-1-6-12-23(18)25)15-26(27(31)32)30-28(33)34-16-24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-14,24,26H,15-16H2,(H,30,33)(H,31,32)/t26-/m0/s1
InChIKey
BVVMQSXHKKYXNK-SANMLTNESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluoronaphthalen-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.1533 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.16058 207.8
[M+Na]+ 478.14252 212.8
[M-H]- 454.14602 214.0
[M+NH4]+ 473.18712 219.2
[M+K]+ 494.11646 206.7
[M+H-H2O]+ 438.15056 197.8
[M+HCOO]- 500.15150 223.2
[M+CH3COO]- 514.16715 215.2
[M+Na-2H]- 476.12797 208.1
[M]+ 455.15275 208.6
[M]- 455.15385 208.6
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.