CID 120812

Ys 3621

Structural Information

Molecular Formula
C19H25NO3
SMILES
CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)NC
InChI
InChI=1S/C19H25NO3/c1-14(20-2)13-19(21,15-8-6-5-7-9-15)17-12-16(22-3)10-11-18(17)23-4/h5-12,14,20-21H,13H2,1-4H3
InChIKey
KKOKLMIKHILGCL-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-(methylamino)-1-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.5
[M+Na]+ 338.17266 181.3
[M-H]- 314.17616 181.5
[M+NH4]+ 333.21726 189.9
[M+K]+ 354.14660 178.3
[M+H-H2O]+ 298.18070 168.6
[M+HCOO]- 360.18164 196.7
[M+CH3COO]- 374.19729 209.1
[M+Na-2H]- 336.15811 180.0
[M]+ 315.18289 178.7
[M]- 315.18399 178.7
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.