CID 6477493

Nsc677055

Structural Information

Molecular Formula
C20H18O3
SMILES
CC1=C2C/C(=C/C3=CC=CC(=C3C(=O)OC)C)/C(=O)C2=CC=C1
InChI
InChI=1S/C20H18O3/c1-12-6-5-9-16-17(12)11-15(19(16)21)10-14-8-4-7-13(2)18(14)20(22)23-3/h4-10H,11H2,1-3H3/b15-10-
InChIKey
XRUQKUFFWLJHLG-GDNBJRDFSA-N
Compound name
methyl 2-methyl-6-[(Z)-(7-methyl-3-oxo-1H-inden-2-ylidene)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12558 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.132856 171.2
[M+Na]+ 329.114798 180.6
[M-H]- 305.118304 179.6
[M+NH4]+ 324.159403 189.6
[M+K]+ 345.088738 175.5
[M+H-H2O]+ 289.122840 164.6
[M+HCOO]- 351.123781 192.9
[M+CH3COO]- 365.139431 207.0
[M+Na-2H]- 327.100246 171.0
[M]+ 306.12503142 173.9
[M]- 306.12612858 173.9
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.