CID 11380

Chlorazine

Structural Information

Molecular Formula

C₁₁H₂₀ClN₅

SMILES

CCN(CC)C1=NC(=NC(=N1)Cl)N(CC)CC

InChI

InChI=1S/C11H20ClN5/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8-4/h5-8H2,1-4H3

InChIKey

QHXDTLYEHWXDSO-UHFFFAOYSA-N

Compound name

6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 17460
References: 4437
Patents: 257.14072 Da
Monoisotopic Mass: 3.8
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]+	258.14800	158.7
[M+Na]+	280.12994	170.9
[M+NH4]+	275.17454	165.7
[M+K]+	296.10388	164.5
[M-H]-	256.13344	160.6
[M+Na-2H]-	278.11539	165.0
[M]+	257.14017	161.1
[M]-	257.14127	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe