CID 4253041

27534-00-5

Structural Information

Molecular Formula
C23H18O2
SMILES
CCCC1=CC=C(C2=CC=CC=C12)C=C3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H18O2/c1-2-7-15-12-13-16(18-9-4-3-8-17(15)18)14-21-22(24)19-10-5-6-11-20(19)23(21)25/h3-6,8-14H,2,7H2,1H3
InChIKey
MLFYHSLTFCTVOI-UHFFFAOYSA-N
Compound name
2-[(4-propylnaphthalen-1-yl)methylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13068 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13796 178.4
[M+Na]+ 349.11990 188.0
[M-H]- 325.12340 187.3
[M+NH4]+ 344.16450 196.6
[M+K]+ 365.09384 180.4
[M+H-H2O]+ 309.12794 170.7
[M+HCOO]- 371.12888 199.4
[M+CH3COO]- 385.14453 190.3
[M+Na-2H]- 347.10535 180.1
[M]+ 326.13013 179.8
[M]- 326.13123 179.8
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.