CID 373904

Nsc650910

Structural Information

Molecular Formula
C26H16O4
SMILES
C1=CC=C(C=C1)C(=O)CC2C(=C3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5C2=O
InChI
InChI=1S/C26H16O4/c27-21(15-8-2-1-3-9-15)14-20-22(16-10-4-5-11-17(16)24(20)28)23-25(29)18-12-6-7-13-19(18)26(23)30/h1-13,20H,14H2
InChIKey
WSIXRANOLJEHJJ-UHFFFAOYSA-N
Compound name
2-(3-oxo-2-phenacylinden-1-ylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10486 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11214 193.9
[M+Na]+ 415.09408 202.6
[M-H]- 391.09758 206.2
[M+NH4]+ 410.13868 210.2
[M+K]+ 431.06802 195.4
[M+H-H2O]+ 375.10212 186.5
[M+HCOO]- 437.10306 214.0
[M+CH3COO]- 451.11871 204.8
[M+Na-2H]- 413.07953 190.7
[M]+ 392.10431 194.4
[M]- 392.10541 194.4
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.