CID 6481776

N-[4-(imidazol-1-ylmethyl)phenyl]-3,4,5-trimethoxy-benzamide

Structural Information

Molecular Formula
C20H21N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)CN3C=CN=C3
InChI
InChI=1S/C20H21N3O4/c1-25-17-10-15(11-18(26-2)19(17)27-3)20(24)22-16-6-4-14(5-7-16)12-23-9-8-21-13-23/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKey
HCFTXSPDYXRNQR-UHFFFAOYSA-N
Compound name
N-[4-(imidazol-1-ylmethyl)phenyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1532 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 186.2
[M+Na]+ 390.14242 193.3
[M-H]- 366.14592 194.0
[M+NH4]+ 385.18702 197.0
[M+K]+ 406.11636 189.8
[M+H-H2O]+ 350.15046 175.5
[M+HCOO]- 412.15140 208.9
[M+CH3COO]- 426.16705 218.3
[M+Na-2H]- 388.12787 187.5
[M]+ 367.15265 191.5
[M]- 367.15375 191.5
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.