CID 67948

Bianthrone

Structural Information

Molecular Formula
C28H16O2
SMILES
C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O
InChI
InChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
InChIKey
MGRRGKWPEVFJSH-UHFFFAOYSA-N
Compound name
10-(10-oxoanthracen-9-ylidene)anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

1043
Patents

384.11502 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12230 191.5
[M+Na]+ 407.10424 200.4
[M-H]- 383.10774 200.9
[M+NH4]+ 402.14884 205.9
[M+K]+ 423.07818 191.2
[M+H-H2O]+ 367.11228 179.6
[M+HCOO]- 429.11322 206.7
[M+CH3COO]- 443.12887 200.9
[M+Na-2H]- 405.08969 196.7
[M]+ 384.11447 188.9
[M]- 384.11557 188.9
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