CID 3069111

84332-20-7

Structural Information

Molecular Formula
C13H21N5O2
SMILES
CCN1CCCC(C1)NC(=O)C2=CN=C(N=C2OC)N
InChI
InChI=1S/C13H21N5O2/c1-3-18-6-4-5-9(8-18)16-11(19)10-7-15-13(14)17-12(10)20-2/h7,9H,3-6,8H2,1-2H3,(H,16,19)(H2,14,15,17)
InChIKey
BTBPYLFRILOQDK-UHFFFAOYSA-N
Compound name
2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16953 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17681 167.2
[M+Na]+ 302.15875 172.3
[M-H]- 278.16225 169.0
[M+NH4]+ 297.20335 178.2
[M+K]+ 318.13269 169.2
[M+H-H2O]+ 262.16679 157.1
[M+HCOO]- 324.16773 184.7
[M+CH3COO]- 338.18338 204.8
[M+Na-2H]- 300.14420 169.6
[M]+ 279.16898 163.5
[M]- 279.17008 163.5
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.