CID 165766755

2384439-07-8

Structural Information

Molecular Formula
C27H30N2O6
SMILES
CC(C)(C)OC(=O)NC1(C2CC1CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C27H30N2O6/c1-26(2,3)35-24(32)28-27(23(30)31)16-12-17(27)14-29(13-16)25(33)34-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,16-17,22H,12-15H2,1-3H3,(H,28,32)(H,30,31)
InChIKey
SIXXQXYNCMTPGI-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2104 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21768 212.1
[M+Na]+ 501.19962 214.8
[M+NH4]+ 496.24422 215.5
[M+K]+ 517.17356 211.9
[M-H]- 477.20312 207.1
[M+Na-2H]- 499.18507 206.4
[M]+ 478.20985 209.7
[M]- 478.21095 209.7
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.