CID 155822656

(2s)-2-(tert-butoxy)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

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 192.7
[M+Na]+ 406.16250 196.8
[M-H]- 382.16600 196.0
[M+NH4]+ 401.20710 206.9
[M+K]+ 422.13644 194.2
[M+H-H2O]+ 366.17054 186.1
[M+HCOO]- 428.17148 209.2
[M+CH3COO]- 442.18713 220.0
[M+Na-2H]- 404.14795 194.4
[M]+ 383.17273 196.7
[M]- 383.17383 196.7
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.