CID 1484287

116895-09-1

Structural Information

Molecular Formula
C8H13ClN4
SMILES
CCN(CC)C1=CC(=NC(=N1)N)Cl
InChI
InChI=1S/C8H13ClN4/c1-3-13(4-2)7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKey
JZPXSIGRVGTURL-UHFFFAOYSA-N
Compound name
6-chloro-4-N,4-N-diethylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

31
Patents

200.08287 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09015 143.2
[M+Na]+ 223.07209 152.2
[M-H]- 199.07559 145.3
[M+NH4]+ 218.11669 160.9
[M+K]+ 239.04603 149.2
[M+H-H2O]+ 183.08013 136.0
[M+HCOO]- 245.08107 162.8
[M+CH3COO]- 259.09672 192.3
[M+Na-2H]- 221.05754 148.9
[M]+ 200.08232 145.2
[M]- 200.08342 145.2
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