CID 167720153

2-(2-{[(9h-fluoren-9-yl)methoxy]carbonyl}-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)acetic acid

Structural Information

Molecular Formula
C22H20N2O6
SMILES
C1C2(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CN(C(=O)O2)CC(=O)O
InChI
InChI=1S/C22H20N2O6/c25-19(26)9-23-11-22(30-21(23)28)12-24(13-22)20(27)29-10-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,25,26)
InChIKey
AOKZNNXZLYCVEF-UHFFFAOYSA-N
Compound name
2-[2-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.13214 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13942 190.1
[M+Na]+ 431.12136 195.0
[M-H]- 407.12486 197.4
[M+NH4]+ 426.16596 196.9
[M+K]+ 447.09530 195.6
[M+H-H2O]+ 391.12940 178.1
[M+HCOO]- 453.13034 202.4
[M+CH3COO]- 467.14599 221.4
[M+Na-2H]- 429.10681 188.9
[M]+ 408.13159 201.1
[M]- 408.13269 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.