CID 73425365

1262802-58-3

Structural Information

Molecular Formula
C20H18N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCC#N)C(=O)O
InChI
InChI=1S/C20H18N2O4/c21-11-5-10-18(19(23)24)22-20(25)26-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10,12H2,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKey
IYSKJCGILKSAFL-GOSISDBHSA-N
Compound name
(2R)-4-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 185.8
[M+Na]+ 373.11587 194.8
[M+NH4]+ 368.16047 188.6
[M+K]+ 389.08981 187.4
[M-H]- 349.11937 179.3
[M+Na-2H]- 371.10132 185.4
[M]+ 350.12610 184.1
[M]- 350.12720 184.1
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.