CID 33443

Secbumeton

Structural Information

Molecular Formula
C10H19N5O
SMILES
CCC(C)NC1=NC(=NC(=N1)NCC)OC
InChI
InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKey
ZJMZZNVGNSWOOM-UHFFFAOYSA-N
Compound name
2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

7913
Patents

225.15897 Da
Monoisotopic Mass

3.2
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