CID 459157

2,4-bis(allylamino)-6-butoxy-s-triazine

Structural Information

Molecular Formula
C13H21N5O
SMILES
CCCCOC1=NC(=NC(=N1)NCC=C)NCC=C
InChI
InChI=1S/C13H21N5O/c1-4-7-10-19-13-17-11(14-8-5-2)16-12(18-13)15-9-6-3/h5-6H,2-4,7-10H2,1H3,(H2,14,15,16,17,18)
InChIKey
NNVXYIYWYLVDPR-UHFFFAOYSA-N
Compound name
6-butoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17462 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18190 163.9
[M+Na]+ 286.16384 170.3
[M-H]- 262.16734 162.9
[M+NH4]+ 281.20844 176.2
[M+K]+ 302.13778 166.0
[M+H-H2O]+ 246.17188 154.2
[M+HCOO]- 308.17282 185.8
[M+CH3COO]- 322.18847 204.1
[M+Na-2H]- 284.14929 169.5
[M]+ 263.17407 166.0
[M]- 263.17517 166.0
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.