CID 5449792

5-hydroxy-4-oxo-2-phenyl-4h-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)acetate

Structural Information

Molecular Formula
C25H19NO7
SMILES
C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O
InChI
InChI=1S/C25H19NO7/c27-19-11-18(32-23(29)14-26-25(30)31-15-16-7-3-1-4-8-16)12-22-24(19)20(28)13-21(33-22)17-9-5-2-6-10-17/h1-13,27H,14-15H2,(H,26,30)
InChIKey
WMBBCGGGMLADNU-UHFFFAOYSA-N
Compound name
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 2-(phenylmethoxycarbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.11615 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.12343 203.7
[M+Na]+ 468.10537 209.3
[M-H]- 444.10887 213.6
[M+NH4]+ 463.14997 210.2
[M+K]+ 484.07931 207.2
[M+H-H2O]+ 428.11341 192.4
[M+HCOO]- 490.11435 223.2
[M+CH3COO]- 504.13000 229.5
[M+Na-2H]- 466.09082 207.3
[M]+ 445.11560 208.2
[M]- 445.11670 208.2
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

No patent data available for this compound.