CID 155978008

2624138-05-0

Structural Information

Molecular Formula
C27H30N2O6
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C27H30N2O6/c1-26(2,3)35-25(33)29-17-12-13-27(29,23(30)31)16-28(14-17)24(32)34-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,30,31)
InChIKey
MPLVDTQSHDDCDC-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-3,8-diazabicyclo[3.2.1]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21768 212.0
[M+Na]+ 501.19962 219.4
[M+NH4]+ 496.24422 218.1
[M+K]+ 517.17356 217.6
[M-H]- 477.20312 210.9
[M+Na-2H]- 499.18507 211.9
[M]+ 478.20985 212.5
[M]- 478.21095 212.5
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.