CID 6481814

3-(imidazol-1-ylmethyl)-n-[(3,4,5-trimethoxyphenyl)methyl]aniline

Structural Information

Molecular Formula
C20H23N3O3
SMILES
COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC(=C2)CN3C=CN=C3
InChI
InChI=1S/C20H23N3O3/c1-24-18-10-16(11-19(25-2)20(18)26-3)12-22-17-6-4-5-15(9-17)13-23-8-7-21-14-23/h4-11,14,22H,12-13H2,1-3H3
InChIKey
MEEYWZUFLXIWBR-UHFFFAOYSA-N
Compound name
3-(imidazol-1-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.17395 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 183.9
[M+Na]+ 376.16317 191.3
[M-H]- 352.16667 191.5
[M+NH4]+ 371.20777 195.5
[M+K]+ 392.13711 187.0
[M+H-H2O]+ 336.17121 173.1
[M+HCOO]- 398.17215 207.2
[M+CH3COO]- 412.18780 216.6
[M+Na-2H]- 374.14862 186.2
[M]+ 353.17340 189.2
[M]- 353.17450 189.2
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.