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 168.6
[M+Na]+ 312.15702 176.2
[M-H]- 288.16052 175.1
[M+NH4]+ 307.20162 184.8
[M+K]+ 328.13096 175.1
[M+H-H2O]+ 272.16506 160.8
[M+HCOO]- 334.16600 191.7
[M+CH3COO]- 348.18165 210.0
[M+Na-2H]- 310.14247 174.0
[M]+ 289.16725 176.0
[M]- 289.16835 176.0
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