CID 199904

1,3,5-triazin-2-amine, 4-ethyl-6-methoxy-n-(1-methylethyl)-

Structural Information

Molecular Formula
C9H16N4O
SMILES
CCC1=NC(=NC(=N1)OC)NC(C)C
InChI
InChI=1S/C9H16N4O/c1-5-7-11-8(10-6(2)3)13-9(12-7)14-4/h6H,5H2,1-4H3,(H,10,11,12,13)
InChIKey
JVUSTZBIQIXNKE-UHFFFAOYSA-N
Compound name
4-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.13242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.139696 145.4
[M+Na]+ 219.121638 153.7
[M-H]- 195.125144 145.3
[M+NH4]+ 214.166243 161.0
[M+K]+ 235.095578 152.1
[M+H-H2O]+ 179.129680 137.1
[M+HCOO]- 241.130621 166.3
[M+CH3COO]- 255.146271 189.5
[M+Na-2H]- 217.107086 151.4
[M]+ 196.13187142 147.7
[M]- 196.13296858 147.7
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

patents stripe