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 204.3
[M+Na]+ 458.11297 210.6
[M-H]- 434.11647 211.2
[M+NH4]+ 453.15757 217.2
[M+K]+ 474.08691 204.3
[M+H-H2O]+ 418.12101 197.2
[M+HCOO]- 480.12195 217.6
[M+CH3COO]- 494.13760 227.3
[M+Na-2H]- 456.09842 206.5
[M]+ 435.12320 209.1
[M]- 435.12430 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.