CID 3057112

Lk 38

Structural Information

Molecular Formula
C12H24N6O3
SMILES
CCOCNC1=NC(=NC(=N1)NCOCC)NCOCC
InChI
InChI=1S/C12H24N6O3/c1-4-19-7-13-10-16-11(14-8-20-5-2)18-12(17-10)15-9-21-6-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKey
NRVJJIJCENKAOL-UHFFFAOYSA-N
Compound name
2-N,4-N,6-N-tris(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.19098 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19826 168.2
[M+Na]+ 323.18020 173.2
[M-H]- 299.18370 167.4
[M+NH4]+ 318.22480 178.6
[M+K]+ 339.15414 171.5
[M+H-H2O]+ 283.18824 157.7
[M+HCOO]- 345.18918 191.5
[M+CH3COO]- 359.20483 212.2
[M+Na-2H]- 321.16565 175.2
[M]+ 300.19043 173.4
[M]- 300.19153 173.4
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