CID 135391539

Unii-eb0ku6r3be

Structural Information

Molecular Formula
C19H25NO3
SMILES
CCC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2O)OC
InChI
InChI=1S/C19H25NO3/c1-4-14-11-19(23-3)15(12-18(14)22-2)9-10-20-13-16-7-5-6-8-17(16)21/h5-8,11-12,20-21H,4,9-10,13H2,1-3H3
InChIKey
SYBINTRPEZWFLZ-UHFFFAOYSA-N
Compound name
2-[[2-(4-ethyl-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

315.18344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.190716 176.2
[M+Na]+ 338.172658 182.8
[M-H]- 314.176164 181.6
[M+NH4]+ 333.217263 190.3
[M+K]+ 354.146598 178.7
[M+H-H2O]+ 298.180700 167.9
[M+HCOO]- 360.181641 199.0
[M+CH3COO]- 374.197291 210.3
[M+Na-2H]- 336.158106 178.6
[M]+ 315.18289142 180.3
[M]- 315.18398858 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe