CID 66685500

93058-67-4

Structural Information

Molecular Formula

C₁₁H₁₈N₆O

SMILES

C1CN(CCN1)C2=NC(=NC=N2)N3CCOCC3

InChI

InChI=1S/C11H18N6O/c1-3-16(4-2-12-1)10-13-9-14-11(15-10)17-5-7-18-8-6-17/h9,12H,1-8H2

InChIKey

AVOSVDRFHAWQCC-UHFFFAOYSA-N

Compound name

4-(4-piperazin-1-yl-1,3,5-triazin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 27
Patents: 250.1542 Da
Monoisotopic Mass: -0.1
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]+	251.161476	163.4
[M+Na]+	273.143418	167.1
[M-H]-	249.146924	162.2
[M+NH4]+	268.188023	168.7
[M+K]+	289.117358	163.2
[M+H-H2O]+	233.151460	150.1
[M+HCOO]-	295.152401	170.7
[M+CH3COO]-	309.168051	170.0
[M+Na-2H]-	271.128866	167.8
[M]+	250.15365142	153.6
[M]-	250.15474858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe