CID 132344289

2137422-00-3

Structural Information

Molecular Formula
C31H38N2O6
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)N(C2CC(C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C31H38N2O6/c1-31(2,3)39-29(36)32-15-8-9-21(14-16-32)33(22-17-20(18-22)28(34)35)30(37)38-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h4-7,10-13,20-22,27H,8-9,14-19H2,1-3H3,(H,34,35)
InChIKey
UHEAZWDJZCXBCC-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.273 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.28028 230.3
[M+Na]+ 557.26222 227.6
[M-H]- 533.26572 238.9
[M+NH4]+ 552.30682 230.3
[M+K]+ 573.23616 232.6
[M+H-H2O]+ 517.27026 217.9
[M+HCOO]- 579.27120 238.3
[M+CH3COO]- 593.28685 249.4
[M+Na-2H]- 555.24767 224.6
[M]+ 534.27245 235.4
[M]- 534.27355 235.4
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.