CID 132310115

2137832-80-3

Structural Information

Molecular Formula
C27H26N2O4
SMILES
C1CN(CCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C27H26N2O4/c30-26(31)18-9-11-20(12-10-18)29-15-13-19(14-16-29)28-27(32)33-17-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-12,19,25H,13-17H2,(H,28,32)(H,30,31)
InChIKey
DPPDCSUBRZXYDM-UHFFFAOYSA-N
Compound name
4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.18927 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19655 207.7
[M+Na]+ 465.17849 219.7
[M+NH4]+ 460.22309 214.5
[M+K]+ 481.15243 213.8
[M-H]- 441.18199 213.3
[M+Na-2H]- 463.16394 213.3
[M]+ 442.18872 210.8
[M]- 442.18982 210.8
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

No patent data available for this compound.