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]+ 436.131026 204.3
[M+Na]+ 458.112968 210.6
[M-H]- 434.116474 211.2
[M+NH4]+ 453.157573 217.2
[M+K]+ 474.086908 204.3
[M+H-H2O]+ 418.121010 197.2
[M+HCOO]- 480.121951 217.6
[M+CH3COO]- 494.137601 227.3
[M+Na-2H]- 456.098416 206.5
[M]+ 435.12320142 209.1
[M]- 435.12429858 209.1
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.