CID 105545580

1691126-63-2

Structural Information

Molecular Formula
C25H22ClNO4
SMILES
CC(CC1=CC=C(C=C1)Cl)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H22ClNO4/c1-25(23(28)29,14-16-10-12-17(26)13-11-16)27-24(30)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,27,30)(H,28,29)
InChIKey
WLGWHNUTZFPJJY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.12375 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13103 203.2
[M+Na]+ 458.11297 215.9
[M+NH4]+ 453.15757 210.3
[M+K]+ 474.08691 210.0
[M-H]- 434.11647 206.9
[M+Na-2H]- 456.09842 208.8
[M]+ 435.12320 206.3
[M]- 435.12430 206.3
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.