CID 3069608

N-(8-benzyl-3-beta-nortropanyl)-2-(dimethylamino)-4-methoxy-5-pyrimidinecarboxamide maleate

Structural Information

Molecular Formula
C22H29N5O2
SMILES
CN(C)C1=NC=C(C(=N1)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C22H29N5O2/c1-26(2)22-23-13-19(21(25-22)29-3)20(28)24-16-11-17-9-10-18(12-16)27(17)14-15-7-5-4-6-8-15/h4-8,13,16-18H,9-12,14H2,1-3H3,(H,24,28)
InChIKey
SSCHVGZEKJNGBP-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(dimethylamino)-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.23212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.23940 196.2
[M+Na]+ 418.22134 206.7
[M+NH4]+ 413.26594 202.6
[M+K]+ 434.19528 202.0
[M-H]- 394.22484 200.5
[M+Na-2H]- 416.20679 200.9
[M]+ 395.23157 198.5
[M]- 395.23267 198.5
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.