CID 49768989

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

Structural Information

Molecular Formula
C26H21N5O5
SMILES
CCOC(=O)CNC1=NC(=NC(=N1)OC2=CC(=O)OC3=CC=CC=C32)NC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C26H21N5O5/c1-2-34-23(33)15-27-24-29-25(28-18-12-11-16-7-3-4-8-17(16)13-18)31-26(30-24)36-21-14-22(32)35-20-10-6-5-9-19(20)21/h3-14H,2,15H2,1H3,(H2,27,28,29,30,31)
InChIKey
ZICDQPCAXDFHSL-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(naphthalen-2-ylamino)-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

483.15427 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.16155 214.6
[M+Na]+ 506.14349 222.2
[M-H]- 482.14699 222.9
[M+NH4]+ 501.18809 216.7
[M+K]+ 522.11743 217.5
[M+H-H2O]+ 466.15153 200.0
[M+HCOO]- 528.15247 233.0
[M+CH3COO]- 542.16812 221.9
[M+Na-2H]- 504.12894 223.1
[M]+ 483.15372 220.5
[M]- 483.15482 220.5
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.