CID 155822656

2503155-72-2

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(C)(C)O[C@@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C22H25NO5/c1-22(2,3)28-19(20(24)25)12-23-21(26)27-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey
IURXNFCAOJRKLI-IBGZPJMESA-N
Compound name
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17328 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18056 190.4
[M+Na]+ 406.16250 198.7
[M+NH4]+ 401.20710 195.9
[M+K]+ 422.13644 196.3
[M-H]- 382.16600 190.4
[M+Na-2H]- 404.14795 192.2
[M]+ 383.17273 191.2
[M]- 383.17383 191.2
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.