CID 119058047

3,4-dma nbome

Structural Information

Molecular Formula
C19H25NO3
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)NCC2=CC=CC=C2OC
InChI
InChI=1S/C19H25NO3/c1-14(20-13-16-7-5-6-8-17(16)21-2)11-15-9-10-18(22-3)19(12-15)23-4/h5-10,12,14,20H,11,13H2,1-4H3
InChIKey
RKXGZUWEWZYDAS-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.190716 176.5
[M+Na]+ 338.172658 182.3
[M-H]- 314.176164 183.0
[M+NH4]+ 333.217263 190.9
[M+K]+ 354.146598 179.6
[M+H-H2O]+ 298.180700 167.8
[M+HCOO]- 360.181641 199.8
[M+CH3COO]- 374.197291 212.3
[M+Na-2H]- 336.158106 178.9
[M]+ 315.18289142 181.4
[M]- 315.18398858 181.4
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.