CID 3004066

Nsc625591

Structural Information

Molecular Formula
C20H18O
SMILES
CC1=C2CC/C(=C\3/CC4=C(C=CC=C4C3=O)C)/C2=CC=C1
InChI
InChI=1S/C20H18O/c1-12-5-3-7-15-14(12)9-10-16(15)19-11-18-13(2)6-4-8-17(18)20(19)21/h3-8H,9-11H2,1-2H3/b19-16+
InChIKey
LTKWZEVBSMVSLA-KNTRCKAVSA-N
Compound name
(2E)-4-methyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14305 165.7
[M+Na]+ 297.12499 175.5
[M-H]- 273.12849 175.0
[M+NH4]+ 292.16959 188.1
[M+K]+ 313.09893 168.7
[M+H-H2O]+ 257.13303 160.0
[M+HCOO]- 319.13397 186.9
[M+CH3COO]- 333.14962 178.7
[M+Na-2H]- 295.11044 165.2
[M]+ 274.13522 165.0
[M]- 274.13632 165.0
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.