CID 3050778

Brn 0427393

Structural Information

Molecular Formula

C₁₅H₂₁N₅O

SMILES

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

InChI

InChI=1S/C15H21N5O/c1-11(2)13(21)20(15(3,4)5)14(18-10-16)19-12-7-6-8-17-9-12/h6-9,11H,1-5H3,(H,18,19)

InChIKey

RFIOINJVJXITQA-UHFFFAOYSA-N

Compound name

N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 287.17462 Da
Monoisotopic Mass: 2.7
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]+	288.181896	176.4
[M+Na]+	310.163838	181.1
[M-H]-	286.167344	179.5
[M+NH4]+	305.208443	188.9
[M+K]+	326.137778	180.9
[M+H-H2O]+	270.171880	161.0
[M+HCOO]-	332.172821	194.6
[M+CH3COO]-	346.188471	222.9
[M+Na-2H]-	308.149286	178.1
[M]+	287.17407142	171.2
[M]-	287.17516858	171.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.