CID 3069587

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

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CC1=NC=C(C(=N1)OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C21H26N4O2/c1-14-22-12-19(21(23-14)27-2)20(26)24-16-10-17-8-9-18(11-16)25(17)13-15-6-4-3-5-7-15/h3-7,12,16-18H,8-11,13H2,1-2H3,(H,24,26)
InChIKey
UATKZOBTWGJZJT-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxy-2-methylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 189.9
[M+Na]+ 389.19479 201.8
[M+NH4]+ 384.23939 196.8
[M+K]+ 405.16873 196.3
[M-H]- 365.19829 193.7
[M+Na-2H]- 387.18024 194.8
[M]+ 366.20502 192.4
[M]- 366.20612 192.4
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.