CID 165892662

(2s)-3-(1,3-dioxolan-2-yl)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

Structural Information

Molecular Formula
C21H21NO6
SMILES
C1COC(O1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO6/c23-20(24)18(11-19-26-9-10-27-19)22-21(25)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19H,9-12H2,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKey
GPGYYMQFHRNQCW-SFHVURJKSA-N
Compound name
(2S)-3-(1,3-dioxolan-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1369 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 187.9
[M+Na]+ 406.12612 191.2
[M-H]- 382.12962 195.7
[M+NH4]+ 401.17072 200.4
[M+K]+ 422.10006 190.7
[M+H-H2O]+ 366.13416 181.9
[M+HCOO]- 428.13510 204.0
[M+CH3COO]- 442.15075 217.1
[M+Na-2H]- 404.11157 188.1
[M]+ 383.13635 190.3
[M]- 383.13745 190.3
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.