CID 3059356

76351-87-6

Structural Information

Molecular Formula
C22H26BrN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)N
InChI
InChI=1S/C22H26BrN3O2/c1-28-21-12-20(24)19(23)11-18(21)22(27)25-15-9-16-7-8-17(10-15)26(16)13-14-5-3-2-4-6-14/h2-6,11-12,15-17H,7-10,13,24H2,1H3,(H,25,27)
InChIKey
UTSGMWNZVVDGGB-UHFFFAOYSA-N
Compound name
4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12813 201.9
[M+Na]+ 466.11007 208.4
[M-H]- 442.11357 210.5
[M+NH4]+ 461.15467 215.8
[M+K]+ 482.08401 195.8
[M+H-H2O]+ 426.11811 198.6
[M+HCOO]- 488.11905 216.5
[M+CH3COO]- 502.13470 211.2
[M+Na-2H]- 464.09552 201.5
[M]+ 443.12030 217.0
[M]- 443.12140 217.0
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.