CID 62479

3089-11-0

Structural Information

Molecular Formula

C₁₅H₃₀N₆O₆

SMILES

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

InChI

InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3

InChIKey

BNCADMBVWNPPIZ-UHFFFAOYSA-N

Compound name

2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 24497
Patents: 390.2227 Da
Monoisotopic Mass: 1.0
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]+	391.229976	188.8
[M+Na]+	413.211918	192.3
[M-H]-	389.215424	192.0
[M+NH4]+	408.256523	197.1
[M+K]+	429.185858	196.2
[M+H-H2O]+	373.219960	177.0
[M+HCOO]-	435.220901	213.2
[M+CH3COO]-	449.236551	237.0
[M+Na-2H]-	411.197366	192.8
[M]+	390.22215142	203.0
[M]-	390.22324858	203.0

Literature stripe

literature stripe

Patent stripe

patents stripe