CID 35078

30360-19-1

Structural Information

Molecular Formula

C₁₀H₂₀N₆

SMILES

CCNC1=NC(=NC(=N1)NC(C)C)NCC

InChI

InChI=1S/C10H20N6/c1-5-11-8-14-9(12-6-2)16-10(15-8)13-7(3)4/h7H,5-6H2,1-4H3,(H3,11,12,13,14,15,16)

InChIKey

ANCXQLFAWHZRLK-UHFFFAOYSA-N

Compound name

4-N,6-N-diethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 224.17494 Da
Monoisotopic Mass: 2.3
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]+	225.182216	154.5
[M+Na]+	247.164158	160.7
[M-H]-	223.167664	154.3
[M+NH4]+	242.208763	168.3
[M+K]+	263.138098	158.3
[M+H-H2O]+	207.172200	145.3
[M+HCOO]-	269.173141	176.9
[M+CH3COO]-	283.188791	200.6
[M+Na-2H]-	245.149606	160.9
[M]+	224.17439142	154.3
[M]-	224.17548858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe