CID 78114

4403-07-0

Structural Information

Molecular Formula
C9H18N6O3
SMILES
C(CO)NC1=NC(=NC(=N1)NCCO)NCCO
InChI
InChI=1S/C9H18N6O3/c16-4-1-10-7-13-8(11-2-5-17)15-9(14-7)12-3-6-18/h16-18H,1-6H2,(H3,10,11,12,13,14,15)
InChIKey
MNGSQDSFUODZAR-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

258.14404 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15132 155.5
[M+Na]+ 281.13326 160.6
[M-H]- 257.13676 151.3
[M+NH4]+ 276.17786 165.5
[M+K]+ 297.10720 157.1
[M+H-H2O]+ 241.14130 146.4
[M+HCOO]- 303.14224 175.4
[M+CH3COO]- 317.15789 196.6
[M+Na-2H]- 279.11871 162.5
[M]+ 258.14349 154.1
[M]- 258.14459 154.1
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