CID 3044737

Brn 0610572

Structural Information

Molecular Formula
C8H13ClN4
SMILES
CCC1=NC(=NC(=N1)Cl)NC(C)C
InChI
InChI=1S/C8H13ClN4/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKey
XHGCHTACKWCQGD-UHFFFAOYSA-N
Compound name
4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.08287 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09015 142.3
[M+Na]+ 223.07209 155.6
[M+NH4]+ 218.11669 149.7
[M+K]+ 239.04603 149.3
[M-H]- 199.07559 143.2
[M+Na-2H]- 221.05754 148.9
[M]+ 200.08232 144.6
[M]- 200.08342 144.6
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