CID 36274

Procyazine

Structural Information

Molecular Formula

C₁₀H₁₃ClN₆

SMILES

CC(C)(C#N)NC1=NC(=NC(=N1)NC2CC2)Cl

InChI

InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)

InChIKey

WUZNHSBFPPFULJ-UHFFFAOYSA-N

Compound name

2-[[4-chloro-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6959
Patents: 252.08902 Da
Monoisotopic Mass: 2.4
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]+	253.09630	157.5
[M+Na]+	275.07824	171.9
[M-H]-	251.08174	161.0
[M+NH4]+	270.12284	166.6
[M+K]+	291.05218	163.9
[M+H-H2O]+	235.08628	145.1
[M+HCOO]-	297.08722	172.5
[M+CH3COO]-	311.10287	210.9
[M+Na-2H]-	273.06369	165.1
[M]+	252.08847	156.5
[M]-	252.08957	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe