CID 854115

374758-53-9

Structural Information

Molecular Formula
C19H18O3
SMILES
CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC=C(C)C
InChI
InChI=1S/C19H18O3/c1-12(2)10-11-21-17-9-8-15-14-6-4-5-7-16(14)19(20)22-18(15)13(17)3/h4-10H,11H2,1-3H3
InChIKey
YTCREJZRKBSEGR-UHFFFAOYSA-N
Compound name
4-methyl-3-(3-methylbut-2-enoxy)benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 166.8
[M+Na]+ 317.11480 177.6
[M-H]- 293.11830 173.7
[M+NH4]+ 312.15940 183.6
[M+K]+ 333.08874 173.9
[M+H-H2O]+ 277.12284 159.3
[M+HCOO]- 339.12378 188.0
[M+CH3COO]- 353.13943 205.9
[M+Na-2H]- 315.10025 173.5
[M]+ 294.12503 173.3
[M]- 294.12613 173.3
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.