CID 24729654

494210-66-1

Structural Information

Molecular Formula
C23H25NO5
SMILES
C1COCCC1CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO5/c25-22(26)21(13-15-9-11-28-12-10-15)24-23(27)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,24,27)(H,25,26)
InChIKey
GHWBOWNFASFNHK-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

395.17328 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 193.9
[M+Na]+ 418.16250 202.8
[M+NH4]+ 413.20710 200.3
[M+K]+ 434.13644 199.3
[M-H]- 394.16600 198.0
[M+Na-2H]- 416.14795 196.2
[M]+ 395.17273 195.9
[M]- 395.17383 195.9
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

patents stripe