CID 3059373

76352-03-9

Structural Information

Molecular Formula
C22H32BrN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4CCCCC4)Br)N
InChI
InChI=1S/C22H32BrN3O2/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/h11-12,14-17H,2-10,13,24H2,1H3,(H,25,27)
InChIKey
ULYNYYLJWVTTGN-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1678 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17508 205.6
[M+Na]+ 472.15702 209.4
[M-H]- 448.16052 213.0
[M+NH4]+ 467.20162 219.0
[M+K]+ 488.13096 197.0
[M+H-H2O]+ 432.16506 202.4
[M+HCOO]- 494.16600 216.1
[M+CH3COO]- 508.18165 231.7
[M+Na-2H]- 470.14247 202.4
[M]+ 449.16725 216.6
[M]- 449.16835 216.6
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.