CID 332361

10-(4-methylbenzylidene)anthrone

Structural Information

Molecular Formula
C22H16O
SMILES
CC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C22H16O/c1-15-10-12-16(13-11-15)14-21-17-6-2-4-8-19(17)22(23)20-9-5-3-7-18(20)21/h2-14H,1H3
InChIKey
KCTYMDUWWAPGIO-UHFFFAOYSA-N
Compound name
10-[(4-methylphenyl)methylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

296.12012 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12740 169.4
[M+Na]+ 319.10934 178.4
[M-H]- 295.11284 177.8
[M+NH4]+ 314.15394 186.6
[M+K]+ 335.08328 170.9
[M+H-H2O]+ 279.11738 160.5
[M+HCOO]- 341.11832 189.4
[M+CH3COO]- 355.13397 181.1
[M+Na-2H]- 317.09479 175.1
[M]+ 296.11957 168.3
[M]- 296.12067 168.3
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