CID 3059375

76352-04-0

Structural Information

Molecular Formula
C20H24BrN5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)Br)N
InChI
InChI=1S/C20H24BrN5O2/c1-28-19-17(10-23-20(22)25-19)18(27)24-14-8-15-6-7-16(9-14)26(15)11-12-2-4-13(21)5-3-12/h2-5,10,14-16H,6-9,11H2,1H3,(H,24,27)(H2,22,23,25)
InChIKey
UXRPEXDRESQCGA-UHFFFAOYSA-N
Compound name
2-amino-N-[8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.11133 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11861 197.5
[M+Na]+ 468.10055 204.8
[M-H]- 444.10405 204.1
[M+NH4]+ 463.14515 208.8
[M+K]+ 484.07449 192.3
[M+H-H2O]+ 428.10859 193.3
[M+HCOO]- 490.10953 210.6
[M+CH3COO]- 504.12518 206.5
[M+Na-2H]- 466.08600 198.7
[M]+ 445.11078 213.1
[M]- 445.11188 213.1
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.