CID 5270965

6-(1-hydroxypropyl)-2,2-dimethyl-10-propyl-5-prop-2-ynoxy-pyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C23H26O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(CC)O)OCC#C
InChI
InChI=1S/C23H26O5/c1-6-9-14-13-17(25)27-22-18(14)21-15(10-11-23(4,5)28-21)20(26-12-7-2)19(22)16(24)8-3/h2,10-11,13,16,24H,6,8-9,12H2,1,3-5H3
InChIKey
PTIXQLLXMQLLEW-UHFFFAOYSA-N
Compound name
6-(1-hydroxypropyl)-2,2-dimethyl-10-propyl-5-prop-2-ynoxypyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.178 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18528 190.8
[M+Na]+ 405.16722 203.1
[M-H]- 381.17072 194.3
[M+NH4]+ 400.21182 202.7
[M+K]+ 421.14116 197.1
[M+H-H2O]+ 365.17526 177.9
[M+HCOO]- 427.17620 200.6
[M+CH3COO]- 441.19185 226.3
[M+Na-2H]- 403.15267 192.9
[M]+ 382.17745 192.7
[M]- 382.17855 192.7
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.