CID 207417

Ln i223

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC(CC1=CC=CC=C1)NCC2COC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H21NO2/c1-14(11-15-7-3-2-4-8-15)20-12-16-13-22-18-10-6-5-9-17(18)19(16)21/h2-10,14,16,20H,11-13H2,1H3
InChIKey
XCSGWBYVHSJVKU-UHFFFAOYSA-N
Compound name
3-[(1-phenylpropan-2-ylamino)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.9
[M+Na]+ 318.14645 184.6
[M+NH4]+ 313.19105 179.8
[M+K]+ 334.12039 176.3
[M-H]- 294.14995 177.9
[M+Na-2H]- 316.13190 178.3
[M]+ 295.15668 174.9
[M]- 295.15778 174.9
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

No patent data available for this compound.