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

1
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

patents stripe