CID 204412

16268-57-8

Structural Information

Molecular Formula

C₉H₁₆N₆O

SMILES

CNC1=NC(=NC(=N1)N2CCOCC2)NC

InChI

InChI=1S/C9H16N6O/c1-10-7-12-8(11-2)14-9(13-7)15-3-5-16-6-4-15/h3-6H2,1-2H3,(H2,10,11,12,13,14)

InChIKey

RNJNDYSDCDTDFN-UHFFFAOYSA-N

Compound name

2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.13857 Da
Monoisotopic Mass: 0.7
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]+	225.14585	153.6
[M+Na]+	247.12779	159.7
[M-H]-	223.13129	155.1
[M+NH4]+	242.17239	164.2
[M+K]+	263.10173	157.7
[M+H-H2O]+	207.13583	142.8
[M+HCOO]-	269.13677	171.2
[M+CH3COO]-	283.15242	193.5
[M+Na-2H]-	245.11324	161.2
[M]+	224.13802	150.0
[M]-	224.13912	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe