CID 135515522

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)N/N=C/C4=C(C=CC5=CC=CC=C54)O

InChI

InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)/b26-15+

InChIKey

XOXCTLAKMCIWCF-CVKSISIWSA-N

Compound name

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

Related CIDs

2D Structure

1
Annotation Hits: 3
References: 97
Patents: 406.14297 Da
Monoisotopic Mass: 5.3
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]+	407.15025	194.1
[M+Na]+	429.13219	201.8
[M-H]-	405.13569	202.4
[M+NH4]+	424.17679	203.8
[M+K]+	445.10613	193.5
[M+H-H2O]+	389.14023	183.0
[M+HCOO]-	451.14117	214.9
[M+CH3COO]-	465.15682	203.0
[M+Na-2H]-	427.11764	200.1
[M]+	406.14242	194.0
[M]-	406.14352	194.0

Literature stripe

Patent stripe