CID 369122

Nsc640670

Structural Information

Molecular Formula
C22H18N2O2
SMILES
CC1=CC=C(C=C1)N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18N2O2/c1-16-12-14-19(15-13-16)23-24-20(21(25)17-8-4-2-5-9-17)22(26)18-10-6-3-7-11-18/h2-15,20H,1H3
InChIKey
GBVMRMUXLFFIFZ-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)diazenyl]-1,3-diphenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13684 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 182.3
[M+Na]+ 365.12606 186.4
[M-H]- 341.12956 193.8
[M+NH4]+ 360.17066 194.8
[M+K]+ 381.10000 182.7
[M+H-H2O]+ 325.13410 171.5
[M+HCOO]- 387.13504 208.0
[M+CH3COO]- 401.15069 221.5
[M+Na-2H]- 363.11151 185.9
[M]+ 342.13629 182.7
[M]- 342.13739 182.7
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.