CID 9579374

A|a-in-7

Structural Information

Molecular Formula

C₁₄H₁₀N₂S

SMILES

C1=CC=C(C=C1)/C=N/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H10N2S/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-10H/b15-10+

InChIKey

SBRCQCMQXNSPJR-XNTDXEJSSA-N

Compound name

(E)-N-(1,3-benzothiazol-2-yl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.05647 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]+	239.06375	149.6
[M+Na]+	261.04569	160.7
[M-H]-	237.04919	158.3
[M+NH4]+	256.09029	170.1
[M+K]+	277.01963	155.3
[M+H-H2O]+	221.05373	142.2
[M+HCOO]-	283.05467	172.8
[M+CH3COO]-	297.07032	163.9
[M+Na-2H]-	259.03114	156.3
[M]+	238.05592	153.6
[M]-	238.05702	153.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.