CID 11397585

524698-40-6

Structural Information

Molecular Formula
C28H23NO7
SMILES
COC1=CC2=C(C=C1)C(=CC(=O)O2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C28H23NO7/c1-34-17-10-11-18-16(13-26(30)36-25(18)14-17)12-24(27(31)32)29-28(33)35-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,13-14,23-24H,12,15H2,1H3,(H,29,33)(H,31,32)/t24-/m0/s1
InChIKey
UMTJSVFQWCDZCB-DEOSSOPVSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(7-methoxy-2-oxochromen-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

485.14746 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.15474 214.1
[M+Na]+ 508.13668 226.7
[M+NH4]+ 503.18128 219.5
[M+K]+ 524.11062 222.4
[M-H]- 484.14018 219.0
[M+Na-2H]- 506.12213 217.3
[M]+ 485.14691 217.1
[M]- 485.14801 217.1
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

patents stripe