CID 135460716

6278-41-7

Structural Information

Molecular Formula

C₁₄H₁₁N₃OS

SMILES

C1=CC=C(C(=C1)/C=N/NC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C14H11N3OS/c18-12-7-3-1-5-10(12)9-15-17-14-16-11-6-2-4-8-13(11)19-14/h1-9,18H,(H,16,17)/b15-9+

InChIKey

MKWMJLJVBCWMHC-OQLLNIDSSA-N

Compound name

2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 269.0623 Da
Monoisotopic Mass: 4.0
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]+	270.069576	155.5
[M+Na]+	292.051518	165.7
[M-H]-	268.055024	162.9
[M+NH4]+	287.096123	173.7
[M+K]+	308.025458	159.9
[M+H-H2O]+	252.059560	148.0
[M+HCOO]-	314.060501	178.2
[M+CH3COO]-	328.076151	168.6
[M+Na-2H]-	290.036966	162.2
[M]+	269.06175142	158.8
[M]-	269.06284858	158.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.