CID 59887

Benzamide, n-(hexahydro-1h-azepin-1-yl)-3,4,5-trimethoxy-

Structural Information

Molecular Formula
C16H24N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NN2CCCCCC2
InChI
InChI=1S/C16H24N2O4/c1-20-13-10-12(11-14(21-2)15(13)22-3)16(19)17-18-8-6-4-5-7-9-18/h10-11H,4-9H2,1-3H3,(H,17,19)
InChIKey
CWDSWKNYBILLOO-UHFFFAOYSA-N
Compound name
N-(azepan-1-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 169.1
[M+Na]+ 331.16282 171.8
[M-H]- 307.16632 174.8
[M+NH4]+ 326.20742 181.2
[M+K]+ 347.13676 175.7
[M+H-H2O]+ 291.17086 160.7
[M+HCOO]- 353.17180 187.6
[M+CH3COO]- 367.18745 208.0
[M+Na-2H]- 329.14827 170.3
[M]+ 308.17305 166.8
[M]- 308.17415 166.8
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.