CID 2787175

Methyl n-{[(4-methyl-2-oxo-2h-chromen-7-yl)oxy]acetyl}tryptophanate

Structural Information

Molecular Formula
C24H22N2O6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC
InChI
InChI=1S/C24H22N2O6/c1-14-9-23(28)32-21-11-16(7-8-17(14)21)31-13-22(27)26-20(24(29)30-2)10-15-12-25-19-6-4-3-5-18(15)19/h3-9,11-12,20,25H,10,13H2,1-2H3,(H,26,27)
InChIKey
NLPNTCULNCBQAK-UHFFFAOYSA-N
Compound name
methyl 3-(1H-indol-3-yl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1478 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.155076 201.9
[M+Na]+ 457.137018 208.5
[M-H]- 433.140524 209.0
[M+NH4]+ 452.181623 211.0
[M+K]+ 473.110958 205.7
[M+H-H2O]+ 417.145060 192.7
[M+HCOO]- 479.146001 220.0
[M+CH3COO]- 493.161651 229.4
[M+Na-2H]- 455.122466 203.9
[M]+ 434.14725142 208.5
[M]- 434.14834858 208.5
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.