CID 3069122

84332-28-5

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC1=NC=C(C(=N1)OC)C(=O)NCC2CCCN2CC3=CC=CC=C3
InChI
InChI=1S/C19H24N4O2/c1-14-20-12-17(19(22-14)25-2)18(24)21-11-16-9-6-10-23(16)13-15-7-4-3-5-8-15/h3-5,7-8,12,16H,6,9-11,13H2,1-2H3,(H,21,24)
InChIKey
LBRGJKJYQRBYPP-UHFFFAOYSA-N
Compound name
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxy-2-methylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 182.3
[M+Na]+ 363.17912 187.5
[M-H]- 339.18262 187.7
[M+NH4]+ 358.22372 192.7
[M+K]+ 379.15306 182.8
[M+H-H2O]+ 323.18716 171.0
[M+HCOO]- 385.18810 200.9
[M+CH3COO]- 399.20375 213.3
[M+Na-2H]- 361.16457 182.8
[M]+ 340.18935 181.8
[M]- 340.19045 181.8
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.