CID 217409

38902-68-0

Structural Information

Molecular Formula
C7H12ClN5
SMILES
CCN(CC)C1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C7H12ClN5/c1-3-13(4-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKey
IKPKORYHXFIOSN-UHFFFAOYSA-N
Compound name
6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

201.07812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08540 141.1
[M+Na]+ 224.06734 153.6
[M+NH4]+ 219.11194 148.3
[M+K]+ 240.04128 147.8
[M-H]- 200.07084 142.6
[M+Na-2H]- 222.05279 147.7
[M]+ 201.07757 143.3
[M]- 201.07867 143.3
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