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]+ 316.190716 176.5
[M+Na]+ 338.172658 181.3
[M-H]- 314.176164 181.5
[M+NH4]+ 333.217263 189.9
[M+K]+ 354.146598 178.3
[M+H-H2O]+ 298.180700 168.6
[M+HCOO]- 360.181641 196.7
[M+CH3COO]- 374.197291 209.1
[M+Na-2H]- 336.158106 180.0
[M]+ 315.18289142 178.7
[M]- 315.18398858 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.