CID 63310301

1-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C25H24N2O4
SMILES
C1CN(CCC1N2C=CC=C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H24N2O4/c28-24(29)23-10-5-13-27(23)17-11-14-26(15-12-17)25(30)31-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-10,13,17,22H,11-12,14-16H2,(H,28,29)
InChIKey
DZECMUVJIAOVSP-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1736 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18088 200.3
[M+Na]+ 439.16282 211.8
[M+NH4]+ 434.20742 207.0
[M+K]+ 455.13676 208.9
[M-H]- 415.16632 204.1
[M+Na-2H]- 437.14827 204.5
[M]+ 416.17305 202.8
[M]- 416.17415 202.8
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.

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No patent data available for this compound.