CID 25596

13012-71-0

Structural Information

Molecular Formula

C₁₅H₁₇N₃O

SMILES

C1=CC=C(C=C1)CCCNNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C15H17N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,17H,4,7,10H2,(H,18,19)

InChIKey

AOEACXXCOFFKKF-UHFFFAOYSA-N

Compound name

N'-(3-phenylpropyl)pyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 255.13716 Da
Monoisotopic Mass: 2.0
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]+	256.144436	158.2
[M+Na]+	278.126378	162.6
[M-H]-	254.129884	162.8
[M+NH4]+	273.170983	172.5
[M+K]+	294.100318	158.6
[M+H-H2O]+	238.134420	148.9
[M+HCOO]-	300.135361	182.4
[M+CH3COO]-	314.151011	198.9
[M+Na-2H]-	276.111826	165.6
[M]+	255.13661142	156.7
[M]-	255.13770858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe