CID 44131279

Ethyl 2-[[4-(4-methoxyanilino)-6-(2-oxochromen-4-yl)oxy-1,3,5-triazin-2-yl]amino]acetate

Structural Information

Molecular Formula
C23H21N5O6
SMILES
CCOC(=O)CNC1=NC(=NC(=N1)OC2=CC(=O)OC3=CC=CC=C32)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C23H21N5O6/c1-3-32-20(30)13-24-21-26-22(25-14-8-10-15(31-2)11-9-14)28-23(27-21)34-18-12-19(29)33-17-7-5-4-6-16(17)18/h4-12H,3,13H2,1-2H3,(H2,24,25,26,27,28)
InChIKey
JHGMRXIRNHFWEN-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(4-methoxyanilino)-6-(2-oxochromen-4-yl)oxy-1,3,5-triazin-2-yl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.14917 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15645 209.2
[M+Na]+ 486.13839 216.0
[M-H]- 462.14189 216.8
[M+NH4]+ 481.18299 211.4
[M+K]+ 502.11233 213.0
[M+H-H2O]+ 446.14643 195.3
[M+HCOO]- 508.14737 228.3
[M+CH3COO]- 522.16302 239.1
[M+Na-2H]- 484.12384 215.5
[M]+ 463.14862 215.8
[M]- 463.14972 215.8
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.