CID 38522

Brn 2303932

Structural Information

Molecular Formula
C22H22O4
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3C2=O)OC(=O)OC(C)C)C
InChI
InChI=1S/C22H22O4/c1-12(2)25-22(24)26-21-17-9-7-6-8-16(17)20(23)19(21)18-14(4)10-13(3)11-15(18)5/h6-12H,1-5H3
InChIKey
ZJFVYFWOHMZGMZ-UHFFFAOYSA-N
Compound name
[3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1518 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15908 182.9
[M+Na]+ 373.14102 192.4
[M-H]- 349.14452 191.7
[M+NH4]+ 368.18562 199.7
[M+K]+ 389.11496 188.8
[M+H-H2O]+ 333.14906 176.0
[M+HCOO]- 395.15000 204.2
[M+CH3COO]- 409.16565 217.7
[M+Na-2H]- 371.12647 180.9
[M]+ 350.15125 189.7
[M]- 350.15235 189.7
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.