CID 4867467

Iprymidam

Structural Information

Molecular Formula
C7H11ClN4
SMILES
CC(C)NC1=CC(=NC(=N1)N)Cl
InChI
InChI=1S/C7H11ClN4/c1-4(2)10-6-3-5(8)11-7(9)12-6/h3-4H,1-2H3,(H3,9,10,11,12)
InChIKey
UCOIYRGMDBGBOU-UHFFFAOYSA-N
Compound name
6-chloro-4-N-propan-2-ylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4358
Patents

186.06723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07451 139.1
[M+Na]+ 209.05645 148.0
[M-H]- 185.05995 139.9
[M+NH4]+ 204.10105 156.6
[M+K]+ 225.03039 144.4
[M+H-H2O]+ 169.06449 132.4
[M+HCOO]- 231.06543 157.5
[M+CH3COO]- 245.08108 186.7
[M+Na-2H]- 207.04190 144.8
[M]+ 186.06668 138.8
[M]- 186.06778 138.8
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