CID 202112

Nsc 34689

Structural Information

Molecular Formula
C17H21NO2
SMILES
CNC(CC1=CC=CC=C1)C2=C(C(=CC=C2)OC)OC
InChI
InChI=1S/C17H21NO2/c1-18-15(12-13-8-5-4-6-9-13)14-10-7-11-16(19-2)17(14)20-3/h4-11,15,18H,12H2,1-3H3
InChIKey
JTFSNJPJULQHQZ-UHFFFAOYSA-N
Compound name
1-(2,3-dimethoxyphenyl)-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.3
[M+Na]+ 294.146448 170.2
[M-H]- 270.149954 170.8
[M+NH4]+ 289.191053 180.3
[M+K]+ 310.120388 167.2
[M+H-H2O]+ 254.154490 156.1
[M+HCOO]- 316.155431 188.1
[M+CH3COO]- 330.171081 203.1
[M+Na-2H]- 292.131896 168.4
[M]+ 271.15668142 166.7
[M]- 271.15777858 166.7
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.