CID 7019708

161420-87-7

Structural Information

Molecular Formula
C19H20N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCN)C(=O)O
InChI
InChI=1S/C19H20N2O4/c20-10-9-17(18(22)23)21-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11,20H2,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKey
ZZDRDGKSMGGBDI-KRWDZBQOSA-N
Compound name
(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

340.1423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 178.4
[M+Na]+ 363.13152 182.8
[M-H]- 339.13502 181.5
[M+NH4]+ 358.17612 193.7
[M+K]+ 379.10546 179.2
[M+H-H2O]+ 323.13956 171.3
[M+HCOO]- 385.14050 197.9
[M+CH3COO]- 399.15615 214.0
[M+Na-2H]- 361.11697 180.0
[M]+ 340.14175 178.9
[M]- 340.14285 178.9
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