CID 3069099

84332-08-1

Structural Information

Molecular Formula
C12H19N5O2
SMILES
COC1=NC(=NC=C1C(=O)NCCN2CCCC2)N
InChI
InChI=1S/C12H19N5O2/c1-19-11-9(8-15-12(13)16-11)10(18)14-4-7-17-5-2-3-6-17/h8H,2-7H2,1H3,(H,14,18)(H2,13,15,16)
InChIKey
PMWJTRNWXJTPLN-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.15387 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16115 160.5
[M+Na]+ 288.14309 165.8
[M-H]- 264.14659 162.6
[M+NH4]+ 283.18769 173.7
[M+K]+ 304.11703 163.2
[M+H-H2O]+ 248.15113 150.6
[M+HCOO]- 310.15207 180.6
[M+CH3COO]- 324.16772 200.0
[M+Na-2H]- 286.12854 162.7
[M]+ 265.15332 158.2
[M]- 265.15442 158.2
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.