CID 137698945

2137931-61-2

Structural Information

Molecular Formula
C27H32N2O6
SMILES
CC(C)(C)OC(=O)NCC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C27H32N2O6/c1-26(2,3)35-24(32)28-17-27(23(30)31)12-14-29(15-13-27)25(33)34-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22H,12-17H2,1-3H3,(H,28,32)(H,30,31)
InChIKey
OPSYDYRBLZGHTI-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.22604 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.23332 213.2
[M+Na]+ 503.21526 220.3
[M+NH4]+ 498.25986 218.5
[M+K]+ 519.18920 216.4
[M-H]- 479.21876 213.7
[M+Na-2H]- 501.20071 215.9
[M]+ 480.22549 214.0
[M]- 480.22659 214.0
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.