CID 3059393

76352-19-7

Structural Information

Molecular Formula
C22H25Br2N3O2
SMILES
COC1=C(C(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)N)Br
InChI
InChI=1S/C22H25Br2N3O2/c1-29-21-17(11-18(23)20(25)19(21)24)22(28)26-14-9-15-7-8-16(10-14)27(15)12-13-5-3-2-4-6-13/h2-6,11,14-16H,7-10,12,25H2,1H3,(H,26,28)
InChIKey
BGXZWRACNYENNP-UHFFFAOYSA-N
Compound name
4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5-dibromo-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.0314 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.03868 201.5
[M+Na]+ 544.02062 207.3
[M-H]- 520.02412 209.7
[M+NH4]+ 539.06522 213.7
[M+K]+ 559.99456 191.7
[M+H-H2O]+ 504.02866 206.4
[M+HCOO]- 566.02960 211.5
[M+CH3COO]- 580.04525 209.9
[M+Na-2H]- 542.00607 200.5
[M]+ 521.03085 232.3
[M]- 521.03195 232.3
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

No patent data available for this compound.