CID 154814303

2551114-78-2

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1CC(OCC1C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO5/c24-21(25)14-9-10-15(27-12-14)11-23-22(26)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,23,26)(H,24,25)
InChIKey
FDNVTIYLRJTXNR-UHFFFAOYSA-N
Compound name
6-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 187.8
[M+Na]+ 404.14684 191.2
[M-H]- 380.15034 194.5
[M+NH4]+ 399.19144 200.2
[M+K]+ 420.12078 188.4
[M+H-H2O]+ 364.15488 180.0
[M+HCOO]- 426.15582 203.1
[M+CH3COO]- 440.17147 218.3
[M+Na-2H]- 402.13229 188.9
[M]+ 381.15707 187.2
[M]- 381.15817 187.2
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.