CID 132344119

2138185-27-8

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1COCC(C1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C22H23NO5/c24-21(25)11-14-12-27-10-9-20(14)23-22(26)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20H,9-13H2,(H,23,26)(H,24,25)
InChIKey
MAORKYFFAYYKJB-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 187.8
[M+Na]+ 404.146838 191.2
[M-H]- 380.150344 194.5
[M+NH4]+ 399.191443 200.2
[M+K]+ 420.120778 188.4
[M+H-H2O]+ 364.154880 180.0
[M+HCOO]- 426.155821 203.1
[M+CH3COO]- 440.171471 218.3
[M+Na-2H]- 402.132286 188.9
[M]+ 381.15707142 187.2
[M]- 381.15816858 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.