CID 18212

Noretone

Structural Information

Molecular Formula

C₈H₁₅N₅O

SMILES

CC(C)NC1=NC(=NC(=N1)NC)OC

InChI

InChI=1S/C8H15N5O/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)

InChIKey

UDLNDEWOMCYEIA-UHFFFAOYSA-N

Compound name

6-methoxy-4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 197.12766 Da
Monoisotopic Mass: 2.2
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]+	198.13494	145.0
[M+Na]+	220.11688	152.8
[M-H]-	196.12038	145.1
[M+NH4]+	215.16148	160.1
[M+K]+	236.09082	151.4
[M+H-H2O]+	180.12492	136.4
[M+HCOO]-	242.12586	167.2
[M+CH3COO]-	256.14151	191.6
[M+Na-2H]-	218.10233	151.9
[M]+	197.12711	146.1
[M]-	197.12821	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe