CID 137949272

2137580-42-6

Structural Information

Molecular Formula
C23H23NO5
SMILES
C1C(OCC12CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O
InChI
InChI=1S/C23H23NO5/c25-21(26)9-15-10-23(14-29-15)12-24(13-23)22(27)28-11-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)
InChIKey
KIWUJPUTXRCSAD-UHFFFAOYSA-N
Compound name
2-[2-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15762 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 188.7
[M+Na]+ 416.14684 192.7
[M-H]- 392.15034 196.8
[M+NH4]+ 411.19144 197.4
[M+K]+ 432.12078 192.7
[M+H-H2O]+ 376.15488 177.2
[M+HCOO]- 438.15582 201.7
[M+CH3COO]- 452.17147 197.3
[M+Na-2H]- 414.13229 187.5
[M]+ 393.15707 198.4
[M]- 393.15817 198.4
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.