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

315
Patents

340.1423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.149576 178.4
[M+Na]+ 363.131518 182.8
[M-H]- 339.135024 181.5
[M+NH4]+ 358.176123 193.7
[M+K]+ 379.105458 179.2
[M+H-H2O]+ 323.139560 171.3
[M+HCOO]- 385.140501 197.9
[M+CH3COO]- 399.156151 214.0
[M+Na-2H]- 361.116966 180.0
[M]+ 340.14175142 178.9
[M]- 340.14284858 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