CID 3068188

Exo-2,3-dimethoxy-5-nitro-n-(8-(phenylmethyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide

Structural Information

Molecular Formula
C23H27N3O5
SMILES
COC1=CC(=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H27N3O5/c1-30-21-13-19(26(28)29)12-20(22(21)31-2)23(27)24-16-10-17-8-9-18(11-16)25(17)14-15-6-4-3-5-7-15/h3-7,12-13,16-18H,8-11,14H2,1-2H3,(H,24,27)
InChIKey
VHMRPJSIKPIXAE-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.19507 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.20235 199.9
[M+Na]+ 448.18429 201.5
[M-H]- 424.18779 206.7
[M+NH4]+ 443.22889 209.7
[M+K]+ 464.15823 193.9
[M+H-H2O]+ 408.19233 194.5
[M+HCOO]- 470.19327 217.0
[M+CH3COO]- 484.20892 225.4
[M+Na-2H]- 446.16974 201.6
[M]+ 425.19452 198.1
[M]- 425.19562 198.1
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.