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]+ 435.15508 201.9
[M+Na]+ 457.13702 208.5
[M-H]- 433.14052 209.0
[M+NH4]+ 452.18162 211.0
[M+K]+ 473.11096 205.7
[M+H-H2O]+ 417.14506 192.7
[M+HCOO]- 479.14600 220.0
[M+CH3COO]- 493.16165 229.4
[M+Na-2H]- 455.12247 203.9
[M]+ 434.14725 208.5
[M]- 434.14835 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.