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]+ 309.180876 169.1
[M+Na]+ 331.162818 171.8
[M-H]- 307.166324 174.8
[M+NH4]+ 326.207423 181.2
[M+K]+ 347.136758 175.7
[M+H-H2O]+ 291.170860 160.7
[M+HCOO]- 353.171801 187.6
[M+CH3COO]- 367.187451 208.0
[M+Na-2H]- 329.148266 170.3
[M]+ 308.17305142 166.8
[M]- 308.17414858 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.