CID 111099

10,10'-(1,2-ethanediylidene)bisanthracen-9(10h)-one

Structural Information

Molecular Formula
C30H18O2
SMILES
C1=CC=C2C(=C1)C(=CC=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O
InChI
InChI=1S/C30H18O2/c31-29-25-13-5-1-9-19(25)23(20-10-2-6-14-26(20)29)17-18-24-21-11-3-7-15-27(21)30(32)28-16-8-4-12-22(24)28/h1-18H
InChIKey
JDBNNTPOYYRPHV-UHFFFAOYSA-N
Compound name
10-[2-(10-oxoanthracen-9-ylidene)ethylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.13068 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13796 199.7
[M+Na]+ 433.11990 207.9
[M-H]- 409.12340 208.7
[M+NH4]+ 428.16450 213.0
[M+K]+ 449.09384 197.9
[M+H-H2O]+ 393.12794 187.4
[M+HCOO]- 455.12888 214.3
[M+CH3COO]- 469.14453 208.2
[M+Na-2H]- 431.10535 203.7
[M]+ 410.13013 196.8
[M]- 410.13123 196.8
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.