CID 3076258

Brn 4333915

Structural Information

Molecular Formula
C22H14O6
SMILES
C1C(C2C(CC1=O)C(=O)C3=C(C2=O)C(=O)C4=CC=CC=C4C3=O)C5=CC=CO5
InChI
InChI=1S/C22H14O6/c23-10-8-13(15-6-3-7-28-15)16-14(9-10)21(26)17-18(22(16)27)20(25)12-5-2-1-4-11(12)19(17)24/h1-7,13-14,16H,8-9H2
InChIKey
JJVZMTJXMIYDHJ-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,6,11,12-pentone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.07904 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08632 181.3
[M+Na]+ 397.06826 190.7
[M-H]- 373.07176 191.5
[M+NH4]+ 392.11286 196.5
[M+K]+ 413.04220 186.4
[M+H-H2O]+ 357.07630 173.8
[M+HCOO]- 419.07724 196.1
[M+CH3COO]- 433.09289 192.3
[M+Na-2H]- 395.05371 181.9
[M]+ 374.07849 181.6
[M]- 374.07959 181.6
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.