CID 137698914

2137580-02-8

Structural Information

Molecular Formula
C26H24ClNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CCCC(=O)O)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H24ClNO4/c27-19-13-11-18(12-14-19)16-28(15-5-10-25(29)30)26(31)32-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,24H,5,10,15-17H2,(H,29,30)
InChIKey
QAWKJHRSPUIDAK-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.13937 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14665 209.0
[M+Na]+ 472.12859 214.4
[M-H]- 448.13209 216.7
[M+NH4]+ 467.17319 221.7
[M+K]+ 488.10253 208.5
[M+H-H2O]+ 432.13663 200.7
[M+HCOO]- 494.13757 223.9
[M+CH3COO]- 508.15322 232.7
[M+Na-2H]- 470.11404 208.6
[M]+ 449.13882 215.5
[M]- 449.13992 215.5
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.