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]+ 296.164506 170.0
[M+Na]+ 318.146448 174.7
[M-H]- 294.149954 177.2
[M+NH4]+ 313.191053 184.2
[M+K]+ 334.120388 171.4
[M+H-H2O]+ 278.154490 161.3
[M+HCOO]- 340.155431 189.2
[M+CH3COO]- 354.171081 206.8
[M+Na-2H]- 316.131896 175.0
[M]+ 295.15668142 168.8
[M]- 295.15777858 168.8
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.