CID 51134

Mc 1415 dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

C1=CC=C2C=C(C=CC2=C1)NCC(=O)NN

InChI

InChI=1S/C12H13N3O/c13-15-12(16)8-14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,14H,8,13H2,(H,15,16)

InChIKey

IFOZONXHXWJEQA-UHFFFAOYSA-N

Compound name

2-(naphthalen-2-ylamino)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 215.10587 Da
Monoisotopic Mass: 2.3
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]+	216.113146	144.2
[M+Na]+	238.095088	150.2
[M-H]-	214.098594	148.2
[M+NH4]+	233.139693	162.6
[M+K]+	254.069028	146.9
[M+H-H2O]+	198.103130	137.2
[M+HCOO]-	260.104071	169.6
[M+CH3COO]-	274.119721	194.7
[M+Na-2H]-	236.080536	152.5
[M]+	215.10532142	141.3
[M]-	215.10641858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe