CID 3069118

84332-26-3

Structural Information

Molecular Formula
C20H27N5O2
SMILES
CN(C)C1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC3=CC=CC=C3
InChI
InChI=1S/C20H27N5O2/c1-24(2)20-22-13-17(19(23-20)27-3)18(26)21-12-16-10-7-11-25(16)14-15-8-5-4-6-9-15/h4-6,8-9,13,16H,7,10-12,14H2,1-3H3,(H,21,26)
InChIKey
XCMKMHLADKNZFS-UHFFFAOYSA-N
Compound name
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-(dimethylamino)-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.21646 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.22374 189.8
[M+Na]+ 392.20568 200.3
[M+NH4]+ 387.25028 195.3
[M+K]+ 408.17962 196.2
[M-H]- 368.20918 194.2
[M+Na-2H]- 390.19113 196.8
[M]+ 369.21591 192.2
[M]- 369.21701 192.2
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.