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]+ 370.223736 189.4
[M+Na]+ 392.205678 193.3
[M-H]- 368.209184 196.1
[M+NH4]+ 387.250283 198.8
[M+K]+ 408.179618 189.9
[M+H-H2O]+ 352.213720 177.5
[M+HCOO]- 414.214661 209.2
[M+CH3COO]- 428.230311 224.6
[M+Na-2H]- 390.191126 189.5
[M]+ 369.21591142 189.9
[M]- 369.21700858 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.