CID 202733

F 1619

Structural Information

Molecular Formula
C19H25NO3
SMILES
CC(CC1=CC=CC=C1)NCC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C19H25NO3/c1-14(10-15-8-6-5-7-9-15)20-13-16-11-17(21-2)19(23-4)18(12-16)22-3/h5-9,11-12,14,20H,10,13H2,1-4H3
InChIKey
ZDTPHBZVRMDDDD-UHFFFAOYSA-N
Compound name
1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.5
[M+Na]+ 338.17266 182.3
[M-H]- 314.17616 183.0
[M+NH4]+ 333.21726 190.9
[M+K]+ 354.14660 179.6
[M+H-H2O]+ 298.18070 167.8
[M+HCOO]- 360.18164 199.8
[M+CH3COO]- 374.19729 212.3
[M+Na-2H]- 336.15811 178.9
[M]+ 315.18289 181.4
[M]- 315.18399 181.4
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.