CID 3069593

5-pyrimidinecarboxamide, n-(8-benzyl-3-beta-nortropanyl)-2-(dimethylamino)-4-ethoxy-, monomaleate

Structural Information

Molecular Formula
C23H31N5O2
SMILES
CCOC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)N(C)C
InChI
InChI=1S/C23H31N5O2/c1-4-30-22-20(14-24-23(26-22)27(2)3)21(29)25-17-12-18-10-11-19(13-17)28(18)15-16-8-6-5-7-9-16/h5-9,14,17-19H,4,10-13,15H2,1-3H3,(H,25,29)
InChIKey
PUYLQEQZZAFGSR-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(dimethylamino)-4-ethoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.24777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.25505 200.1
[M+Na]+ 432.23699 203.0
[M-H]- 408.24049 205.5
[M+NH4]+ 427.28159 209.4
[M+K]+ 448.21093 198.8
[M+H-H2O]+ 392.24503 188.3
[M+HCOO]- 454.24597 215.3
[M+CH3COO]- 468.26162 234.2
[M+Na-2H]- 430.22244 199.9
[M]+ 409.24722 199.8
[M]- 409.24832 199.8
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.