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]+ 383.185276 190.8
[M+Na]+ 405.167218 203.1
[M-H]- 381.170724 194.3
[M+NH4]+ 400.211823 202.7
[M+K]+ 421.141158 197.1
[M+H-H2O]+ 365.175260 177.9
[M+HCOO]- 427.176201 200.6
[M+CH3COO]- 441.191851 226.3
[M+Na-2H]- 403.152666 192.9
[M]+ 382.17745142 192.7
[M]- 382.17854858 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

literature stripe

Patent stripe

No patent data available for this compound.