CID 3069116

84332-25-2

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CNC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC3=CC=CC=C3
InChI
InChI=1S/C19H25N5O2/c1-20-19-22-12-16(18(23-19)26-2)17(25)21-11-15-9-6-10-24(15)13-14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11,13H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKey
UOSSEALOLUJQKH-UHFFFAOYSA-N
Compound name
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.20084 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20812 184.6
[M+Na]+ 378.19006 188.8
[M-H]- 354.19356 190.0
[M+NH4]+ 373.23466 194.0
[M+K]+ 394.16400 184.2
[M+H-H2O]+ 338.19810 173.0
[M+HCOO]- 400.19904 204.2
[M+CH3COO]- 414.21469 218.5
[M+Na-2H]- 376.17551 186.0
[M]+ 355.20029 183.5
[M]- 355.20139 183.5
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.