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

2
Patents

308.1736 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 172.3
[M+Na]+ 331.16282 177.3
[M-H]- 307.16632 177.3
[M+NH4]+ 326.20742 187.2
[M+K]+ 347.13676 175.7
[M+H-H2O]+ 291.17086 163.9
[M+HCOO]- 353.17180 193.6
[M+CH3COO]- 367.18745 207.3
[M+Na-2H]- 329.14827 172.3
[M]+ 308.17305 175.3
[M]- 308.17415 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