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 189.9
[M+Na]+ 373.11587 197.8
[M-H]- 349.11937 192.2
[M+NH4]+ 368.16047 203.5
[M+K]+ 389.08981 190.6
[M+H-H2O]+ 333.12391 176.4
[M+HCOO]- 395.12485 205.1
[M+CH3COO]- 409.14050 222.2
[M+Na-2H]- 371.10132 190.2
[M]+ 350.12610 186.6
[M]- 350.12720 186.6
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.