CID 5270974

Schembl7103733

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCCC1=CC(=O)OC2=C(C(=C3C=CC(OC3=C12)(C)C)O)C(CC)N
InChI
InChI=1S/C20H25NO4/c1-5-7-11-10-14(22)24-19-15(11)18-12(8-9-20(3,4)25-18)17(23)16(19)13(21)6-2/h8-10,13,23H,5-7,21H2,1-4H3
InChIKey
NJUFNCBBWTUDOE-UHFFFAOYSA-N
Compound name
6-(1-aminopropyl)-5-hydroxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

343.17834 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 184.3
[M+Na]+ 366.16756 193.8
[M-H]- 342.17106 189.9
[M+NH4]+ 361.21216 198.9
[M+K]+ 382.14150 191.8
[M+H-H2O]+ 326.17560 177.2
[M+HCOO]- 388.17654 199.9
[M+CH3COO]- 402.19219 218.0
[M+Na-2H]- 364.15301 188.1
[M]+ 343.17779 189.1
[M]- 343.17889 189.1
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.