CID 4217959

27533-99-9

Structural Information

Molecular Formula
C22H16O2
SMILES
CCC1=CC=C(C2=CC=CC=C12)C=C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H16O2/c1-2-14-11-12-15(17-8-4-3-7-16(14)17)13-20-21(23)18-9-5-6-10-19(18)22(20)24/h3-13H,2H2,1H3
InChIKey
YEJHUGMDDBUQHF-UHFFFAOYSA-N
Compound name
2-[(4-ethylnaphthalen-1-yl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.11502 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12230 173.7
[M+Na]+ 335.10424 183.8
[M-H]- 311.10774 182.8
[M+NH4]+ 330.14884 192.5
[M+K]+ 351.07818 176.4
[M+H-H2O]+ 295.11228 166.2
[M+HCOO]- 357.11322 195.1
[M+CH3COO]- 371.12887 186.0
[M+Na-2H]- 333.08969 176.0
[M]+ 312.11447 174.8
[M]- 312.11557 174.8
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

patents stripe