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

2
Annotation Hits: 0
References: 226
Patents: 258.14404 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.151316	155.5
[M+Na]+	281.133258	160.6
[M-H]-	257.136764	151.3
[M+NH4]+	276.177863	165.5
[M+K]+	297.107198	157.1
[M+H-H2O]+	241.141300	146.4
[M+HCOO]-	303.142241	175.4
[M+CH3COO]-	317.157891	196.6
[M+Na-2H]-	279.118706	162.5
[M]+	258.14349142	154.1
[M]-	258.14458858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe