CID 2761476

401933-16-2

Structural Information

Molecular Formula
C25H20N2O4
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C#N
InChI
InChI=1S/C25H20N2O4/c26-14-17-8-2-1-7-16(17)13-23(24(28)29)27-25(30)31-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
InChIKey
ACFGBBASKOIPEW-QHCPKHFHSA-N
Compound name
(2S)-3-(2-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

412.1423 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14958 203.2
[M+Na]+ 435.13152 214.1
[M+NH4]+ 430.17612 206.2
[M+K]+ 451.10546 205.3
[M-H]- 411.13502 199.2
[M+Na-2H]- 433.11697 204.8
[M]+ 412.14175 202.6
[M]- 412.14285 202.6
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

patents stripe