CID 3059363

76351-93-4

Structural Information

Molecular Formula
C23H28BrN3O2
SMILES
CC1=CC(=CC=C1)CN2C3CCC2CC(C3)NC(=O)C4=CC(=C(C=C4OC)N)Br
InChI
InChI=1S/C23H28BrN3O2/c1-14-4-3-5-15(8-14)13-27-17-6-7-18(27)10-16(9-17)26-23(28)19-11-20(24)21(25)12-22(19)29-2/h3-5,8,11-12,16-18H,6-7,9-10,13,25H2,1-2H3,(H,26,28)
InChIKey
FLZVPJKXCRMGOT-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-2-methoxy-N-[8-[(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.1365 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.14378 207.1
[M+Na]+ 480.12572 214.0
[M-H]- 456.12922 215.9
[M+NH4]+ 475.17032 220.7
[M+K]+ 496.09966 201.2
[M+H-H2O]+ 440.13376 203.7
[M+HCOO]- 502.13470 221.3
[M+CH3COO]- 516.15035 216.2
[M+Na-2H]- 478.11117 205.5
[M]+ 457.13595 222.8
[M]- 457.13705 222.8
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.