CID 12679395

2-chloro-n-ethyl-n-methyl-4-pyrimidinamine

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CCN(C)C1=NC(=NC=C1)Cl
InChI
InChI=1S/C7H10ClN3/c1-3-11(2)6-4-5-9-7(8)10-6/h4-5H,3H2,1-2H3
InChIKey
WYVQCIMGZVVQER-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

171.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 133.2
[M+Na]+ 194.045538 142.4
[M-H]- 170.049044 135.5
[M+NH4]+ 189.090143 152.3
[M+K]+ 210.019478 140.1
[M+H-H2O]+ 154.053580 126.2
[M+HCOO]- 216.054521 152.6
[M+CH3COO]- 230.070171 184.0
[M+Na-2H]- 192.030986 141.0
[M]+ 171.05577142 136.1
[M]- 171.05686858 136.1
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

patents stripe