CID 2759180

3-(4-chlorophenyl)-4-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

Structural Information

Molecular Formula
C25H22ClNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(CC(=O)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H22ClNO4/c26-18-11-9-16(10-12-18)17(13-24(28)29)14-27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,17,23H,13-15H2,(H,27,30)(H,28,29)
InChIKey
QBZLIPNTUZDPQK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.12375 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.131026 203.5
[M+Na]+ 458.112968 209.0
[M-H]- 434.116474 210.1
[M+NH4]+ 453.157573 216.1
[M+K]+ 474.086908 202.6
[M+H-H2O]+ 418.121010 195.9
[M+HCOO]- 480.121951 217.4
[M+CH3COO]- 494.137601 227.7
[M+Na-2H]- 456.098416 203.4
[M]+ 435.12320142 208.1
[M]- 435.12429858 208.1
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.