CID 369129

Nsc640677

Structural Information

Molecular Formula
C22H18N2O3
SMILES
COC1=CC=C(C=C1)N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H18N2O3/c1-27-19-14-12-18(13-15-19)23-24-20(21(25)16-8-4-2-5-9-16)22(26)17-10-6-3-7-11-17/h2-15,20H,1H3
InChIKey
WVAAOZMKRUBFAQ-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)diazenyl]-1,3-diphenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.13174 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13902 185.3
[M+Na]+ 381.12096 189.2
[M-H]- 357.12446 196.8
[M+NH4]+ 376.16556 197.1
[M+K]+ 397.09490 186.3
[M+H-H2O]+ 341.12900 174.3
[M+HCOO]- 403.12994 211.2
[M+CH3COO]- 417.14559 223.6
[M+Na-2H]- 379.10641 189.0
[M]+ 358.13119 187.1
[M]- 358.13229 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.