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 191.6
[M+Na]+ 418.16250 193.9
[M-H]- 394.16600 197.9
[M+NH4]+ 413.20710 203.2
[M+K]+ 434.13644 191.6
[M+H-H2O]+ 378.17054 184.2
[M+HCOO]- 440.17148 205.0
[M+CH3COO]- 454.18713 220.4
[M+Na-2H]- 416.14795 194.2
[M]+ 395.17273 190.5
[M]- 395.17383 190.5
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.