CID 104663

53973-02-7

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCCCNC1=NC(=NC(=N1)OCC=C)OCC=C
InChI
InChI=1S/C13H20N4O2/c1-4-7-8-14-11-15-12(18-9-5-2)17-13(16-11)19-10-6-3/h5-6H,2-4,7-10H2,1H3,(H,14,15,16,17)
InChIKey
PUGZOQMKGQYAGP-UHFFFAOYSA-N
Compound name
N-butyl-4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

264.15863 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.165906 163.0
[M+Na]+ 287.147848 170.2
[M-H]- 263.151354 162.0
[M+NH4]+ 282.192453 175.5
[M+K]+ 303.121788 166.5
[M+H-H2O]+ 247.155890 153.6
[M+HCOO]- 309.156831 184.1
[M+CH3COO]- 323.172481 201.1
[M+Na-2H]- 285.133296 168.2
[M]+ 264.15808142 167.3
[M]- 264.15917858 167.3
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