CID 165765007

2757961-46-7

Structural Information

Molecular Formula
C20H19FN2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](C[C@H](C(=O)N)F)C(=O)O
InChI
InChI=1S/C20H19FN2O5/c21-16(18(22)24)9-17(19(25)26)23-20(27)28-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17H,9-10H2,(H2,22,24)(H,23,27)(H,25,26)/t16-,17+/m1/s1
InChIKey
RMZNYLWGHBVZKN-SJORKVTESA-N
Compound name
(2S,4R)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-fluoro-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1278 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13508 187.7
[M+Na]+ 409.11702 191.0
[M-H]- 385.12052 189.3
[M+NH4]+ 404.16162 200.6
[M+K]+ 425.09096 188.4
[M+H-H2O]+ 369.12506 179.9
[M+HCOO]- 431.12600 204.1
[M+CH3COO]- 445.14165 223.1
[M+Na-2H]- 407.10247 186.2
[M]+ 386.12725 187.0
[M]- 386.12835 187.0
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.