CID 779529

6-ethoxy-n2-ethyl-n4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C10H19N5O
SMILES
CCNC1=NC(=NC(=N1)OCC)NC(C)C
InChI
InChI=1S/C10H19N5O/c1-5-11-8-13-9(12-7(3)4)15-10(14-8)16-6-2/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKey
VPYFEDXTWUPBQQ-UHFFFAOYSA-N
Compound name
6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

225.15897 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16625 153.8
[M+Na]+ 248.14819 160.7
[M-H]- 224.15169 153.5
[M+NH4]+ 243.19279 167.8
[M+K]+ 264.12213 158.9
[M+H-H2O]+ 208.15623 144.8
[M+HCOO]- 270.15717 175.4
[M+CH3COO]- 284.17282 197.6
[M+Na-2H]- 246.13364 159.7
[M]+ 225.15842 155.7
[M]- 225.15952 155.7
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

No patent data available for this compound.