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]+ 350.21148 188.0
[M+Na]+ 372.19342 195.3
[M-H]- 348.19692 197.3
[M+NH4]+ 367.23802 201.5
[M+K]+ 388.16736 191.7
[M+H-H2O]+ 332.20146 178.4
[M+HCOO]- 394.20240 210.1
[M+CH3COO]- 408.21805 222.9
[M+Na-2H]- 370.17887 191.5
[M]+ 349.20365 193.6
[M]- 349.20475 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.