CID 14014367

110406-94-5

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

CN1CCCC(CC1)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H21N3O/c1-17-10-5-8-13(9-11-17)15-16-14(18)12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18)

InChIKey

HJCSHXABAVJCGJ-UHFFFAOYSA-N

Compound name

N'-(1-methylazepan-4-yl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 247.16846 Da
Monoisotopic Mass: 1.9
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]+	248.17574	157.0
[M+Na]+	270.15768	158.4
[M-H]-	246.16118	162.2
[M+NH4]+	265.20228	170.7
[M+K]+	286.13162	160.5
[M+H-H2O]+	230.16572	148.4
[M+HCOO]-	292.16666	176.5
[M+CH3COO]-	306.18231	198.8
[M+Na-2H]-	268.14313	160.6
[M]+	247.16791	148.5
[M]-	247.16901	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe