CID 130928

Ucb-11056

Structural Information

Molecular Formula

C₁₂H₂₁N₅O₂

SMILES

CCCC1=NC(=NC(=N1)N2CCOCC2)NCCO

InChI

InChI=1S/C12H21N5O2/c1-2-3-10-14-11(13-4-7-18)16-12(15-10)17-5-8-19-9-6-17/h18H,2-9H2,1H3,(H,13,14,15,16)

InChIKey

NERMEVBNTXXDNG-UHFFFAOYSA-N

Compound name

2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 23
Patents: 267.16953 Da
Monoisotopic Mass: 0.9
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]+	268.17681	164.7
[M+Na]+	290.15875	175.6
[M+NH4]+	285.20335	169.8
[M+K]+	306.13269	170.4
[M-H]-	266.16225	166.8
[M+Na-2H]-	288.14420	169.3
[M]+	267.16898	166.5
[M]-	267.17008	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe