CID 126821241

2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-(oxan-4-yl)propanoic acid

Structural Information

Molecular Formula
C23H25NO5
SMILES
CC(C1CCOCC1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO5/c1-23(21(25)26,15-10-12-28-13-11-15)24-22(27)29-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20H,10-14H2,1H3,(H,24,27)(H,25,26)
InChIKey
PKXCIEOJZVRRNT-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 192.5
[M+Na]+ 418.16250 201.4
[M+NH4]+ 413.20710 198.8
[M+K]+ 434.13644 198.5
[M-H]- 394.16600 196.2
[M+Na-2H]- 416.14795 195.3
[M]+ 395.17273 194.5
[M]- 395.17383 194.5
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.