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 176.3
[M+Na]+ 350.15875 181.5
[M-H]- 326.16225 181.7
[M+NH4]+ 345.20335 186.6
[M+K]+ 366.13269 177.0
[M+H-H2O]+ 310.16679 165.2
[M+HCOO]- 372.16773 196.0
[M+CH3COO]- 386.18338 212.1
[M+Na-2H]- 348.14420 177.7
[M]+ 327.16898 173.6
[M]- 327.17008 173.6
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.