CID 935848

Benzamide, n-(2-(1-pyrrolidinyl)ethyl)-3,4,5-trimethoxy-, monohydrochloride

Structural Information

Molecular Formula
C16H24N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCCN2CCCC2
InChI
InChI=1S/C16H24N2O4/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-6-9-18-7-4-5-8-18/h10-11H,4-9H2,1-3H3,(H,17,19)
InChIKey
PKBVRCYCEXZQOA-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

308.1736 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 172.3
[M+Na]+ 331.162818 177.3
[M-H]- 307.166324 177.3
[M+NH4]+ 326.207423 187.2
[M+K]+ 347.136758 175.7
[M+H-H2O]+ 291.170860 163.9
[M+HCOO]- 353.171801 193.6
[M+CH3COO]- 367.187451 207.3
[M+Na-2H]- 329.148266 172.3
[M]+ 308.17305142 175.3
[M]- 308.17414858 175.3
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

patents stripe