CID 5270980

8-(1-amino-propyl)-5,7-dimethoxy-4-propyl-chromen-2-one

Structural Information

Molecular Formula
C17H23NO4
SMILES
CCCC1=CC(=O)OC2=C1C(=CC(=C2C(CC)N)OC)OC
InChI
InChI=1S/C17H23NO4/c1-5-7-10-8-14(19)22-17-15(10)12(20-3)9-13(21-4)16(17)11(18)6-2/h8-9,11H,5-7,18H2,1-4H3
InChIKey
ZTEIEGREBBPWTD-UHFFFAOYSA-N
Compound name
8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.5
[M+Na]+ 328.15194 181.3
[M-H]- 304.15544 177.8
[M+NH4]+ 323.19654 187.6
[M+K]+ 344.12588 179.8
[M+H-H2O]+ 288.15998 165.2
[M+HCOO]- 350.16092 193.5
[M+CH3COO]- 364.17657 211.8
[M+Na-2H]- 326.13739 175.0
[M]+ 305.16217 179.3
[M]- 305.16327 179.3
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.