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

literature stripe

Patent stripe

patents stripe