CID 211094

Brn 0937319

Structural Information

Molecular Formula
C19H21N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C19H21N3O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)19(23)20-8-9-22-12-21-14-6-4-5-7-15(14)22/h4-7,10-12H,8-9H2,1-3H3,(H,20,23)
InChIKey
FOXHBVLXEIALNP-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 183.0
[M+Na]+ 378.14242 191.7
[M-H]- 354.14592 188.8
[M+NH4]+ 373.18702 195.8
[M+K]+ 394.11636 188.1
[M+H-H2O]+ 338.15046 173.2
[M+HCOO]- 400.15140 205.8
[M+CH3COO]- 414.16705 216.8
[M+Na-2H]- 376.12787 186.4
[M]+ 355.15265 190.8
[M]- 355.15375 190.8
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.