CID 3059352

2-amino-n-(8-benzyl-3-beta-nortropanyl)-4-ethoxy-5-pyrimidinecarboxamide maleate

Structural Information

Molecular Formula
C21H27N5O2
SMILES
CCOC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)N
InChI
InChI=1S/C21H27N5O2/c1-2-28-20-18(12-23-21(22)25-20)19(27)24-15-10-16-8-9-17(11-15)26(16)13-14-6-4-3-5-7-14/h3-7,12,15-17H,2,8-11,13H2,1H3,(H,24,27)(H2,22,23,25)
InChIKey
KRYLWEAIVMHTMG-UHFFFAOYSA-N
Compound name
2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.21646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22374 191.0
[M+Na]+ 404.20568 194.9
[M-H]- 380.20918 195.0
[M+NH4]+ 399.25028 200.7
[M+K]+ 420.17962 189.4
[M+H-H2O]+ 364.21372 179.9
[M+HCOO]- 426.21466 205.9
[M+CH3COO]- 440.23031 198.3
[M+Na-2H]- 402.19113 191.7
[M]+ 381.21591 188.0
[M]- 381.21701 188.0
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.