CID 73325014

Dtxsid801349378

Structural Information

Molecular Formula

C₁₀H₁₃ClN₄O

SMILES

CC(=NC(=O)N)N(C)CC1=CN=C(C=C1)Cl

InChI

InChI=1S/C10H13ClN4O/c1-7(14-10(12)16)15(2)6-8-3-4-9(11)13-5-8/h3-5H,6H2,1-2H3,(H2,12,16)

InChIKey

ISBUGOZWWNMPPC-UHFFFAOYSA-N

Compound name

1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1
Patents: 240.07779 Da
Monoisotopic Mass: 0.6
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]+	241.085066	154.2
[M+Na]+	263.067008	161.2
[M-H]-	239.070514	158.8
[M+NH4]+	258.111613	171.6
[M+K]+	279.040948	159.1
[M+H-H2O]+	223.075050	147.0
[M+HCOO]-	285.075991	175.8
[M+CH3COO]-	299.091641	202.1
[M+Na-2H]-	261.052456	157.9
[M]+	240.07724142	155.9
[M]-	240.07833858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe