CID 137698911

2137695-93-1

Structural Information

Molecular Formula
C25H22FNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CCC(=O)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C25H22FNO4/c26-18-11-9-17(10-12-18)15-27(14-13-24(28)29)25(30)31-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2,(H,28,29)
InChIKey
RCUZWRPHGFCVAI-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl-[(4-fluorophenyl)methyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1533 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.16058 200.5
[M+Na]+ 442.14252 205.5
[M-H]- 418.14602 207.1
[M+NH4]+ 437.18712 213.3
[M+K]+ 458.11646 200.9
[M+H-H2O]+ 402.15056 190.7
[M+HCOO]- 464.15150 219.1
[M+CH3COO]- 478.16715 229.1
[M+Na-2H]- 440.12797 200.4
[M]+ 419.15275 203.1
[M]- 419.15385 203.1
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.