CID 45356722

913542-81-1

Structural Information

Molecular Formula
C27H24BrNO4
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Br)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24BrNO4/c28-19-11-9-18(10-12-19)27(25(30)31)13-15-29(16-14-27)26(32)33-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,24H,13-17H2,(H,30,31)
InChIKey
LXVOLEMRWXWNPG-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

505.08887 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.09615 218.3
[M+Na]+ 528.07809 225.2
[M-H]- 504.08159 228.2
[M+NH4]+ 523.12269 231.3
[M+K]+ 544.05203 213.5
[M+H-H2O]+ 488.08613 215.4
[M+HCOO]- 550.08707 229.2
[M+CH3COO]- 564.10272 226.8
[M+Na-2H]- 526.06354 217.8
[M]+ 505.08832 234.8
[M]- 505.08942 234.8
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

patents stripe