CID 86812201

1803582-64-0

Structural Information

Molecular Formula
C29H35N3O6
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)N2CCN(CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H35N3O6/c1-28(2,3)38-27(36)31-18-29(19-31,16-25(33)34)32-14-12-30(13-15-32)26(35)37-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-11,24H,12-19H2,1-3H3,(H,33,34)
InChIKey
QMYAURCWORVLRX-UHFFFAOYSA-N
Compound name
2-[3-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.25256 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.25984 229.6
[M+Na]+ 544.24178 229.6
[M-H]- 520.24528 233.5
[M+NH4]+ 539.28638 228.9
[M+K]+ 560.21572 229.9
[M+H-H2O]+ 504.24982 214.1
[M+HCOO]- 566.25076 233.9
[M+CH3COO]- 580.26641 242.8
[M+Na-2H]- 542.22723 225.8
[M]+ 521.25201 237.9
[M]- 521.25311 237.9
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.