CID 48881

67026-78-2

Structural Information

Molecular Formula

C₁₂H₁₈N₄O

SMILES

CCC(C)(C)N=C(NC=O)NC1=CN=CC=C1

InChI

InChI=1S/C12H18N4O/c1-4-12(2,3)16-11(14-9-17)15-10-6-5-7-13-8-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17)

InChIKey

NPPXEXPOHVWMNN-UHFFFAOYSA-N

Compound name

N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 234.14806 Da
Monoisotopic Mass: 1.8
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]+	235.155336	155.2
[M+Na]+	257.137278	160.0
[M-H]-	233.140784	158.5
[M+NH4]+	252.181883	171.4
[M+K]+	273.111218	158.3
[M+H-H2O]+	217.145320	147.2
[M+HCOO]-	279.146261	180.1
[M+CH3COO]-	293.161911	199.9
[M+Na-2H]-	255.122726	162.9
[M]+	234.14751142	154.9
[M]-	234.14860858	154.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.