CID 5270977

Schembl6685184

Structural Information

Molecular Formula
C23H31NO4
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(CC)NCC)OC
InChI
InChI=1S/C23H31NO4/c1-7-10-14-13-17(25)27-22-18(14)21-15(11-12-23(4,5)28-21)20(26-6)19(22)16(8-2)24-9-3/h11-13,16,24H,7-10H2,1-6H3
InChIKey
JQDHLUOKFDBXQE-UHFFFAOYSA-N
Compound name
6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

385.2253 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 196.7
[M+Na]+ 408.21452 205.2
[M-H]- 384.21802 203.5
[M+NH4]+ 403.25912 210.4
[M+K]+ 424.18846 203.7
[M+H-H2O]+ 368.22256 188.6
[M+HCOO]- 430.22350 213.3
[M+CH3COO]- 444.23915 229.5
[M+Na-2H]- 406.19997 200.3
[M]+ 385.22475 205.1
[M]- 385.22585 205.1
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

patents stripe