CID 132942542

Iminoquinone

Structural Information

Molecular Formula
C26H18N2O3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N=C3C=CC(=O)C(=C3C(=O)C4=CC=CC=C4)N
InChI
InChI=1S/C26H18N2O3/c27-24-22(29)16-15-21(23(24)26(31)18-11-5-2-6-12-18)28-20-14-8-7-13-19(20)25(30)17-9-3-1-4-10-17/h1-16H,27H2
InChIKey
MDKVDJZIHRFUBO-UHFFFAOYSA-N
Compound name
2-amino-3-benzoyl-4-(2-benzoylphenyl)iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

955
Patents

406.13174 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13902 198.7
[M+Na]+ 429.12096 203.9
[M-H]- 405.12446 211.7
[M+NH4]+ 424.16556 207.5
[M+K]+ 445.09490 198.0
[M+H-H2O]+ 389.12900 186.9
[M+HCOO]- 451.12994 221.8
[M+CH3COO]- 465.14559 231.3
[M+Na-2H]- 427.10641 199.4
[M]+ 406.13119 196.0
[M]- 406.13229 196.0
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.