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

688
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

literature stripe

Patent stripe

patents stripe