CID 3041656

Brn 1290604

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCN(CC)CCCOC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C17H23NO3/c1-4-18(5-2)9-6-10-20-14-7-8-15-13(3)11-17(19)21-16(15)12-14/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKey
UDVYANVPBSOJFN-UHFFFAOYSA-N
Compound name
7-[3-(diethylamino)propoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 167.6
[M+Na]+ 312.15702 181.0
[M+NH4]+ 307.20162 175.5
[M+K]+ 328.13096 173.7
[M-H]- 288.16052 172.3
[M+Na-2H]- 310.14247 173.1
[M]+ 289.16725 170.9
[M]- 289.16835 170.9
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

patents stripe