CID 3069608

84936-78-7

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]+ 396.239396 195.8
[M+Na]+ 418.221338 199.2
[M-H]- 394.224844 201.4
[M+NH4]+ 413.265943 205.7
[M+K]+ 434.195278 195.1
[M+H-H2O]+ 378.229380 184.2
[M+HCOO]- 440.230321 211.3
[M+CH3COO]- 454.245971 203.3
[M+Na-2H]- 416.206786 196.1
[M]+ 395.23157142 195.1
[M]- 395.23266858 195.1
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.