CID 448672

5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine

Structural Information

Molecular Formula
C9H16N4
SMILES
CCN(C)CC1=CN=C(N=C1N)C
InChI
InChI=1S/C9H16N4/c1-4-13(3)6-8-5-11-7(2)12-9(8)10/h5H,4,6H2,1-3H3,(H2,10,11,12)
InChIKey
UMZINNCUCWRLDQ-UHFFFAOYSA-N
Compound name
5-[[ethyl(methyl)amino]methyl]-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

180.1375 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 141.6
[M+Na]+ 203.126718 149.5
[M-H]- 179.130224 143.8
[M+NH4]+ 198.171323 159.3
[M+K]+ 219.100658 148.1
[M+H-H2O]+ 163.134760 133.6
[M+HCOO]- 225.135701 165.5
[M+CH3COO]- 239.151351 191.5
[M+Na-2H]- 201.112166 147.4
[M]+ 180.13695142 142.1
[M]- 180.13804858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe