CID 369378

Nsc641140

Structural Information

Molecular Formula
C25H21N3O4
SMILES
CCOC1=CC=CC=C1N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=CC(=C4)C
InChI
InChI=1S/C25H21N3O4/c1-3-31-23-10-5-4-9-21(23)28-27-19-11-12-22-17(14-19)15-20(25(30)32-22)24(29)26-18-8-6-7-16(2)13-18/h4-15H,3H2,1-2H3,(H,26,29)
InChIKey
VLBVIPHPPAURDO-UHFFFAOYSA-N
Compound name
6-[(2-ethoxyphenyl)diazenyl]-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1532 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16048 204.6
[M+Na]+ 450.14242 211.8
[M-H]- 426.14592 218.6
[M+NH4]+ 445.18702 213.9
[M+K]+ 466.11636 209.0
[M+H-H2O]+ 410.15046 192.4
[M+HCOO]- 472.15140 231.0
[M+CH3COO]- 486.16705 240.6
[M+Na-2H]- 448.12787 210.3
[M]+ 427.15265 210.0
[M]- 427.15375 210.0
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.