CID 369379

Nsc641141

Structural Information

Molecular Formula
C19H16N2O4
SMILES
CCOC1=CC=CC=C1N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)C
InChI
InChI=1S/C19H16N2O4/c1-3-24-18-7-5-4-6-16(18)21-20-14-8-9-17-13(10-14)11-15(12(2)22)19(23)25-17/h4-11H,3H2,1-2H3
InChIKey
XGYUEUZCLNDELL-UHFFFAOYSA-N
Compound name
3-acetyl-6-[(2-ethoxyphenyl)diazenyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.111 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 177.3
[M+Na]+ 359.10022 186.1
[M-H]- 335.10372 188.7
[M+NH4]+ 354.14482 191.2
[M+K]+ 375.07416 184.5
[M+H-H2O]+ 319.10826 167.5
[M+HCOO]- 381.10920 204.0
[M+CH3COO]- 395.12485 220.8
[M+Na-2H]- 357.08567 184.1
[M]+ 336.11045 184.0
[M]- 336.11155 184.0
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.