CID 229862

N4-butyl-6-chloropyrimidine-2,4-diamine

Structural Information

Molecular Formula
C8H13ClN4
SMILES
CCCCNC1=CC(=NC(=N1)N)Cl
InChI
InChI=1S/C8H13ClN4/c1-2-3-4-11-7-5-6(9)12-8(10)13-7/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKey
USOQULOSUZEEKY-UHFFFAOYSA-N
Compound name
4-N-butyl-6-chloropyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

17
Patents

200.08287 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09015 143.2
[M+Na]+ 223.07209 152.0
[M-H]- 199.07559 143.7
[M+NH4]+ 218.11669 160.2
[M+K]+ 239.04603 147.6
[M+H-H2O]+ 183.08013 136.2
[M+HCOO]- 245.08107 162.2
[M+CH3COO]- 259.09672 188.9
[M+Na-2H]- 221.05754 149.6
[M]+ 200.08232 143.9
[M]- 200.08342 143.9
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