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]+ 341.197176 182.3
[M+Na]+ 363.179118 187.5
[M-H]- 339.182624 187.7
[M+NH4]+ 358.223723 192.7
[M+K]+ 379.153058 182.8
[M+H-H2O]+ 323.187160 171.0
[M+HCOO]- 385.188101 200.9
[M+CH3COO]- 399.203751 213.3
[M+Na-2H]- 361.164566 182.8
[M]+ 340.18935142 181.8
[M]- 340.19044858 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.