CID 2841561

1-methyl-1-(7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl)ethyl benzoate

Structural Information

Molecular Formula
C21H18O5
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H18O5/c1-21(2,26-20(23)13-6-4-3-5-7-13)18-11-15-10-14-8-9-19(22)25-16(14)12-17(15)24-18/h3-10,12,18H,11H2,1-2H3
InChIKey
VIPXLQMQEIDXMH-UHFFFAOYSA-N
Compound name
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

350.11542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.122696 179.8
[M+Na]+ 373.104638 188.0
[M-H]- 349.108144 189.9
[M+NH4]+ 368.149243 193.7
[M+K]+ 389.078578 186.9
[M+H-H2O]+ 333.112680 172.9
[M+HCOO]- 395.113621 197.3
[M+CH3COO]- 409.129271 212.3
[M+Na-2H]- 371.090086 185.6
[M]+ 350.11487142 185.0
[M]- 350.11596858 185.0
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.