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 189.4
[M+Na]+ 392.20568 193.3
[M-H]- 368.20918 196.1
[M+NH4]+ 387.25028 198.8
[M+K]+ 408.17962 189.9
[M+H-H2O]+ 352.21372 177.5
[M+HCOO]- 414.21466 209.2
[M+CH3COO]- 428.23031 224.6
[M+Na-2H]- 390.19113 189.5
[M]+ 369.21591 189.9
[M]- 369.21701 189.9
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.