CID 156601175

Hmmm tp383

Structural Information

Molecular Formula

C₁₃H₂₄N₆O₆

SMILES

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

InChI

InChI=1S/C13H24N6O6/c1-22-7-18(8-23-2)12-14-11(17(5-20)6-21)15-13(16-12)19(9-24-3)10-25-4/h5,21H,6-10H2,1-4H3

InChIKey

PRDOSDUGXKTFET-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 360.17572 Da
Monoisotopic Mass: -0.2
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]+	361.182996	178.9
[M+Na]+	383.164938	183.2
[M-H]-	359.168444	181.1
[M+NH4]+	378.209543	187.6
[M+K]+	399.138878	186.1
[M+H-H2O]+	343.172980	167.8
[M+HCOO]-	405.173921	202.7
[M+CH3COO]-	419.189571	228.2
[M+Na-2H]-	381.150386	183.4
[M]+	360.17517142	189.8
[M]-	360.17626858	189.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.