CID 53832785

1334509-86-2

Structural Information

Molecular Formula
C27H24N2O4
SMILES
CN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O4/c1-29-15-17(18-8-6-7-13-25(18)29)14-24(26(30)31)28-27(32)33-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,15,23-24H,14,16H2,1H3,(H,28,32)(H,30,31)/t24-/m0/s1
InChIKey
GDPXIUSEXJJUGT-DEOSSOPVSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

440.1736 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18088 206.3
[M+Na]+ 463.16282 218.6
[M+NH4]+ 458.20742 213.1
[M+K]+ 479.13676 215.1
[M-H]- 439.16632 210.1
[M+Na-2H]- 461.14827 210.6
[M]+ 440.17305 209.0
[M]- 440.17415 209.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe