CID 10806

R932w85nef

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC(=C)C(=O)OC1=CC(=CC=CC1=O)N=NC2=CC=CC=C2
InChI
InChI=1S/C17H14N2O3/c1-12(2)17(21)22-16-11-14(9-6-10-15(16)20)19-18-13-7-4-3-5-8-13/h3-11H,1H2,2H3
InChIKey
WYACSSKDRFBSCJ-UHFFFAOYSA-N
Compound name
(7-oxo-3-phenyldiazenylcyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.4
[M+Na]+ 317.08965 170.6
[M-H]- 293.09315 175.9
[M+NH4]+ 312.13425 180.2
[M+K]+ 333.06359 173.9
[M+H-H2O]+ 277.09769 157.9
[M+HCOO]- 339.09863 192.2
[M+CH3COO]- 353.11428 211.5
[M+Na-2H]- 315.07510 169.3
[M]+ 294.09988 165.5
[M]- 294.10098 165.5
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.