CID 3055417

72412-41-0

Structural Information

Molecular Formula
C17H21N5O2
SMILES
COC1=NC(=NC=C1C(=O)NC2CCN(C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C17H21N5O2/c1-24-16-14(9-19-17(18)21-16)15(23)20-13-7-8-22(11-13)10-12-5-3-2-4-6-12/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,23)(H2,18,19,21)
InChIKey
NDUZIKNIMLIHOG-UHFFFAOYSA-N
Compound name
2-amino-N-(1-benzylpyrrolidin-3-yl)-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16953 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 177.7
[M+Na]+ 350.15875 188.3
[M+NH4]+ 345.20335 183.3
[M+K]+ 366.13269 184.6
[M-H]- 326.16225 181.7
[M+Na-2H]- 348.14420 184.6
[M]+ 327.16898 179.9
[M]- 327.17008 179.9
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.