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]+ 356.160476 183.0
[M+Na]+ 378.142418 191.7
[M-H]- 354.145924 188.8
[M+NH4]+ 373.187023 195.8
[M+K]+ 394.116358 188.1
[M+H-H2O]+ 338.150460 173.2
[M+HCOO]- 400.151401 205.8
[M+CH3COO]- 414.167051 216.8
[M+Na-2H]- 376.127866 186.4
[M]+ 355.15265142 190.8
[M]- 355.15374858 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.