CID 132350949

2137503-11-6

Structural Information

Molecular Formula
C23H23NO5
SMILES
C1COCCC12CN(C2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H23NO5/c25-21(26)20-23(9-11-28-12-10-23)14-24(20)22(27)29-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19-20H,9-14H2,(H,25,26)
InChIKey
COJCHCSZTRLEQV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 188.2
[M+Na]+ 416.14684 191.7
[M-H]- 392.15034 195.4
[M+NH4]+ 411.19144 194.9
[M+K]+ 432.12078 191.9
[M+H-H2O]+ 376.15488 174.7
[M+HCOO]- 438.15582 199.0
[M+CH3COO]- 452.17147 196.1
[M+Na-2H]- 414.13229 188.8
[M]+ 393.15707 195.6
[M]- 393.15817 195.6
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.