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]+ 356.208116 184.6
[M+Na]+ 378.190058 188.8
[M-H]- 354.193564 190.0
[M+NH4]+ 373.234663 194.0
[M+K]+ 394.163998 184.2
[M+H-H2O]+ 338.198100 173.0
[M+HCOO]- 400.199041 204.2
[M+CH3COO]- 414.214691 218.5
[M+Na-2H]- 376.175506 186.0
[M]+ 355.20029142 183.5
[M]- 355.20138858 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.