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 204.3
[M+Na]+ 465.17849 207.1
[M-H]- 441.18199 211.9
[M+NH4]+ 460.22309 213.5
[M+K]+ 481.15243 201.4
[M+H-H2O]+ 425.18653 193.8
[M+HCOO]- 487.18747 218.3
[M+CH3COO]- 501.20312 211.0
[M+Na-2H]- 463.16394 203.5
[M]+ 442.18872 201.3
[M]- 442.18982 201.3
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.