CID 24738

Cyprazine

Structural Information

Molecular Formula

C₉H₁₄ClN₅

SMILES

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

InChI

InChI=1S/C9H14ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)

InChIKey

OOHIAOSLOGDBCE-UHFFFAOYSA-N

Compound name

6-chloro-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3
References: 10394
Patents: 227.09378 Da
Monoisotopic Mass: 2.6
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]+	228.101056	154.4
[M+Na]+	250.082998	164.0
[M-H]-	226.086504	157.7
[M+NH4]+	245.127603	164.2
[M+K]+	266.056938	158.2
[M+H-H2O]+	210.091040	145.7
[M+HCOO]-	272.091981	172.2
[M+CH3COO]-	286.107631	197.4
[M+Na-2H]-	248.068446	160.1
[M]+	227.09323142	157.1
[M]-	227.09432858	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe