CID 132351148

2137769-17-4

Structural Information

Molecular Formula
C23H22N2O5
SMILES
C1C(CN(C1=O)C2CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H22N2O5/c26-21-9-14(22(27)28)10-25(21)15-11-24(12-15)23(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,27,28)
InChIKey
FXIKNZYTSBHETF-UHFFFAOYSA-N
Compound name
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.15286 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16014 192.5
[M+Na]+ 429.14208 196.1
[M-H]- 405.14558 199.8
[M+NH4]+ 424.18668 198.3
[M+K]+ 445.11602 195.1
[M+H-H2O]+ 389.15012 179.3
[M+HCOO]- 451.15106 205.2
[M+CH3COO]- 465.16671 223.1
[M+Na-2H]- 427.12753 187.8
[M]+ 406.15231 201.1
[M]- 406.15341 201.1
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.