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]+ 295.107706 165.4
[M+Na]+ 317.089648 170.6
[M-H]- 293.093154 175.9
[M+NH4]+ 312.134253 180.2
[M+K]+ 333.063588 173.9
[M+H-H2O]+ 277.097690 157.9
[M+HCOO]- 339.098631 192.2
[M+CH3COO]- 353.114281 211.5
[M+Na-2H]- 315.075096 169.3
[M]+ 294.09988142 165.5
[M]- 294.10097858 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.