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]+ 410.255046 200.1
[M+Na]+ 432.236988 203.0
[M-H]- 408.240494 205.5
[M+NH4]+ 427.281593 209.4
[M+K]+ 448.210928 198.8
[M+H-H2O]+ 392.245030 188.3
[M+HCOO]- 454.245971 215.3
[M+CH3COO]- 468.261621 234.2
[M+Na-2H]- 430.222436 199.9
[M]+ 409.24722142 199.8
[M]- 409.24831858 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.