CID 3069101

Brn 5559891

Structural Information

Molecular Formula
C13H23N5O2
SMILES
CCN(CC)CCCNC(=O)C1=CN=C(N=C1OC)N
InChI
InChI=1S/C13H23N5O2/c1-4-18(5-2)8-6-7-15-11(19)10-9-16-13(14)17-12(10)20-3/h9H,4-8H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKey
QNUKQJSFIBDNRL-UHFFFAOYSA-N
Compound name
2-amino-N-[3-(diethylamino)propyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.18518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19246 168.2
[M+Na]+ 304.17440 173.3
[M-H]- 280.17790 169.8
[M+NH4]+ 299.21900 181.2
[M+K]+ 320.14834 172.1
[M+H-H2O]+ 264.18244 158.7
[M+HCOO]- 326.18338 191.4
[M+CH3COO]- 340.19903 212.4
[M+Na-2H]- 302.15985 171.2
[M]+ 281.18463 170.8
[M]- 281.18573 170.8
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.