CID 30949

Butalamine

Structural Information

Molecular Formula

C₁₈H₂₈N₄O

SMILES

CCCCN(CCCC)CCNC1=NC(=NO1)C2=CC=CC=C2

InChI

InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)

InChIKey

VYWQZAARVNRSTR-UHFFFAOYSA-N

Compound name

N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 978
Patents: 316.22632 Da
Monoisotopic Mass: 4.7
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]+	317.23360	179.6
[M+Na]+	339.21554	183.6
[M-H]-	315.21904	184.6
[M+NH4]+	334.26014	191.6
[M+K]+	355.18948	181.3
[M+H-H2O]+	299.22358	168.9
[M+HCOO]-	361.22452	202.6
[M+CH3COO]-	375.24017	215.5
[M+Na-2H]-	337.20099	183.1
[M]+	316.22577	184.0
[M]-	316.22687	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe