CID 3059380

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

Structural Information

Molecular Formula
C22H25N3O4
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C22H25N3O4/c1-29-21-10-9-19(25(27)28)13-20(21)22(26)23-16-11-17-7-8-18(12-16)24(17)14-15-5-3-2-4-6-15/h2-6,9-10,13,16-18H,7-8,11-12,14H2,1H3,(H,23,26)
InChIKey
TVMOWPYVFQYIEX-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1845 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 192.2
[M+Na]+ 418.17372 203.5
[M+NH4]+ 413.21832 199.3
[M+K]+ 434.14766 200.9
[M-H]- 394.17722 198.0
[M+Na-2H]- 416.15917 196.8
[M]+ 395.18395 195.1
[M]- 395.18505 195.1
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.