CID 27388

P 1390

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂

SMILES

CCCNC(=O)CCNNC(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H18N4O2/c1-2-6-14-11(17)5-9-15-16-12(18)10-3-7-13-8-4-10/h3-4,7-8,15H,2,5-6,9H2,1H3,(H,14,17)(H,16,18)

InChIKey

IWHYRFYSOIKFSE-UHFFFAOYSA-N

Compound name

N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 250.14297 Da
Monoisotopic Mass: 0.3
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]+	251.150246	157.7
[M+Na]+	273.132188	161.2
[M-H]-	249.135694	159.3
[M+NH4]+	268.176793	172.2
[M+K]+	289.106128	159.3
[M+H-H2O]+	233.140230	149.1
[M+HCOO]-	295.141171	182.0
[M+CH3COO]-	309.156821	200.8
[M+Na-2H]-	271.117636	163.1
[M]+	250.14242142	156.9
[M]-	250.14351858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe