CID 234605

Mls002607896

Structural Information

Molecular Formula

C₁₄H₁₁N₃OS

SMILES

C1=CC=C(C(=C1)C=NNC2=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)

InChIKey

MKWMJLJVBCWMHC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
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]+	270.06958	155.5
[M+Na]+	292.05152	165.7
[M-H]-	268.05502	162.9
[M+NH4]+	287.09612	173.7
[M+K]+	308.02546	159.9
[M+H-H2O]+	252.05956	148.0
[M+HCOO]-	314.06050	178.2
[M+CH3COO]-	328.07615	168.6
[M+Na-2H]-	290.03697	162.2
[M]+	269.06175	158.8
[M]-	269.06285	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe