CID 154699626

Ns00117380

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂N₅O

SMILES

CC(C)(N=C(N)N=C(N)NC1=CC(=C(C=C1)Cl)Cl)O

InChI

InChI=1S/C11H15Cl2N5O/c1-11(2,19)18-10(15)17-9(14)16-6-3-4-7(12)8(13)5-6/h3-5,19H,1-2H3,(H5,14,15,16,17,18)

InChIKey

GXIYYKFEFVBTAX-UHFFFAOYSA-N

Compound name

1-[amino-(3,4-dichloroanilino)methylidene]-2-(2-hydroxypropan-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.06537 Da
Monoisotopic Mass: 2.2
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]+	304.072646	172.0
[M+Na]+	326.054588	178.4
[M-H]-	302.058094	175.8
[M+NH4]+	321.099193	187.4
[M+K]+	342.028528	173.9
[M+H-H2O]+	286.062630	166.8
[M+HCOO]-	348.063571	188.7
[M+CH3COO]-	362.079221	214.3
[M+Na-2H]-	324.040036	174.1
[M]+	303.06482142	170.9
[M]-	303.06591858	170.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.