CID 7020776

172721-23-2

Structural Information

Molecular Formula
C18H17NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC[C@@H](C(=O)O)O
InChI
InChI=1S/C18H17NO5/c20-16(17(21)22)9-19-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)/t16-/m0/s1
InChIKey
OOFCRVWLJFLVCB-INIZCTEOSA-N
Compound name
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.1107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.117976 173.4
[M+Na]+ 350.099918 178.5
[M-H]- 326.103424 175.9
[M+NH4]+ 345.144523 189.0
[M+K]+ 366.073858 175.2
[M+H-H2O]+ 310.107960 167.0
[M+HCOO]- 372.108901 191.5
[M+CH3COO]- 386.124551 206.2
[M+Na-2H]- 348.085366 175.6
[M]+ 327.11015142 174.9
[M]- 327.11124858 174.9
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

patents stripe