CID 156601179

Hmmm tp287

Structural Information

Molecular Formula

C₁₀H₁₈N₆O₄

SMILES

COCN(COC)C1=NC(=NC(=N1)N)N(COC)C=O

InChI

InChI=1S/C10H18N6O4/c1-18-5-15(4-17)9-12-8(11)13-10(14-9)16(6-19-2)7-20-3/h4H,5-7H2,1-3H3,(H2,11,12,13,14)

InChIKey

VASSCAPEVQZJKA-UHFFFAOYSA-N

Compound name

N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 286.13895 Da
Monoisotopic Mass: -0.4
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]+	287.146226	162.3
[M+Na]+	309.128168	168.7
[M-H]-	285.131674	164.5
[M+NH4]+	304.172773	174.1
[M+K]+	325.102108	169.9
[M+H-H2O]+	269.136210	152.0
[M+HCOO]-	331.137151	187.1
[M+CH3COO]-	345.152801	213.6
[M+Na-2H]-	307.113616	167.9
[M]+	286.13840142	169.1
[M]-	286.13949858	169.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.