CID 6481805

N-[3-(imidazol-1-ylmethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine

Structural Information

Molecular Formula
C20H21N3O3
SMILES
COC1=CC(=CC(=C1OC)OC)C=NC2=CC=CC(=C2)CN3C=CN=C3
InChI
InChI=1S/C20H21N3O3/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/h4-12,14H,13H2,1-3H3
InChIKey
HUOAOOQCEFAHAW-UHFFFAOYSA-N
Compound name
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 183.5
[M+Na]+ 374.147518 191.7
[M-H]- 350.151024 192.5
[M+NH4]+ 369.192123 195.9
[M+K]+ 390.121458 187.6
[M+H-H2O]+ 334.155560 172.4
[M+HCOO]- 396.156501 208.5
[M+CH3COO]- 410.172151 217.7
[M+Na-2H]- 372.132966 186.1
[M]+ 351.15775142 189.8
[M]- 351.15884858 189.8
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.