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 225.0
[M+Na]+ 501.19962 224.2
[M-H]- 477.20312 224.2
[M+NH4]+ 496.24422 232.4
[M+K]+ 517.17356 225.5
[M+H-H2O]+ 461.20766 212.5
[M+HCOO]- 523.20860 227.7
[M+CH3COO]- 537.22425 242.1
[M+Na-2H]- 499.18507 228.0
[M]+ 478.20985 238.2
[M]- 478.21095 238.2
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.