CID 71424713

919797-17-4

Structural Information

Molecular Formula
C17H21NO3
SMILES
COC1=CC(=C(C=C1)OC)CCNCC2=CC=CC=C2O
InChI
InChI=1S/C17H21NO3/c1-20-15-7-8-17(21-2)13(11-15)9-10-18-12-14-5-3-4-6-16(14)19/h3-8,11,18-19H,9-10,12H2,1-2H3
InChIKey
GWSDQXKNRDQTTQ-UHFFFAOYSA-N
Compound name
2-[[2-(2,5-dimethoxyphenyl)ethylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 167.0
[M+Na]+ 310.14135 173.6
[M-H]- 286.14485 172.4
[M+NH4]+ 305.18595 181.9
[M+K]+ 326.11529 169.9
[M+H-H2O]+ 270.14939 158.9
[M+HCOO]- 332.15033 190.5
[M+CH3COO]- 346.16598 203.1
[M+Na-2H]- 308.12680 171.3
[M]+ 287.15158 170.0
[M]- 287.15268 170.0
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.