CID 58412

Rec 7-0112

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCCN(CCC)CC1=CC2=C(C=C1)OC(=C(C2=O)C)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO2/c1-4-13-24(14-5-2)16-18-11-12-21-20(15-18)22(25)17(3)23(26-21)19-9-7-6-8-10-19/h6-12,15H,4-5,13-14,16H2,1-3H3
InChIKey
WOIDZPDSBSETLX-UHFFFAOYSA-N
Compound name
6-[(dipropylamino)methyl]-3-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 188.0
[M+Na]+ 372.193418 195.3
[M-H]- 348.196924 197.3
[M+NH4]+ 367.238023 201.5
[M+K]+ 388.167358 191.7
[M+H-H2O]+ 332.201460 178.4
[M+HCOO]- 394.202401 210.1
[M+CH3COO]- 408.218051 222.9
[M+Na-2H]- 370.178866 191.5
[M]+ 349.20365142 193.6
[M]- 349.20474858 193.6
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.