CID 95755

10205-56-8

Structural Information

Molecular Formula

C₁₅H₁₄N₂S

SMILES

CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3

InChIKey

HYKGLCSXVAAXNC-UHFFFAOYSA-N

Compound name

4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 621
Patents: 254.08777 Da
Monoisotopic Mass: 4.4
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]+	255.09505	154.6
[M+Na]+	277.07699	170.2
[M+NH4]+	272.12159	165.4
[M+K]+	293.05093	161.3
[M-H]-	253.08049	161.2
[M+Na-2H]-	275.06244	164.9
[M]+	254.08722	159.5
[M]-	254.08832	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe