CID 784220

82376-73-6

Structural Information

Molecular Formula
C16H19NO3
SMILES
COC1=CC=C(C=C1)NCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H19NO3/c1-18-14-7-5-13(6-8-14)17-11-12-4-9-15(19-2)16(10-12)20-3/h4-10,17H,11H2,1-3H3
InChIKey
LCTVDNZJKCOONX-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

273.1365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.3
[M+Na]+ 296.12572 169.7
[M-H]- 272.12922 169.3
[M+NH4]+ 291.17032 178.5
[M+K]+ 312.09966 167.1
[M+H-H2O]+ 256.13376 154.1
[M+HCOO]- 318.13470 187.6
[M+CH3COO]- 332.15035 202.5
[M+Na-2H]- 294.11117 167.5
[M]+ 273.13595 166.8
[M]- 273.13705 166.8
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