CID 3044745

Brn 0513605

Structural Information

Molecular Formula
C7H12N4S
SMILES
CCC1=NC(=NC(=N1)SC)NC
InChI
InChI=1S/C7H12N4S/c1-4-5-9-6(8-2)11-7(10-5)12-3/h4H2,1-3H3,(H,8,9,10,11)
InChIKey
AKWPXGXCHRMXIE-UHFFFAOYSA-N
Compound name
4-ethyl-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07826 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08554 137.9
[M+Na]+ 207.06748 147.8
[M-H]- 183.07098 138.2
[M+NH4]+ 202.11208 154.8
[M+K]+ 223.04142 144.5
[M+H-H2O]+ 167.07552 130.3
[M+HCOO]- 229.07646 155.0
[M+CH3COO]- 243.09211 184.4
[M+Na-2H]- 205.05293 142.7
[M]+ 184.07771 140.7
[M]- 184.07881 140.7
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

No patent data available for this compound.