CID 700289

34176-49-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)N

InChI

InChI=1S/C11H10N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-4H,5-6H2,(H2,12,13)

InChIKey

RKFXIXZWTWCVBR-UHFFFAOYSA-N

Compound name

4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 32
Patents: 202.05647 Da
Monoisotopic Mass: 2.6
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]+	203.06375	139.2
[M+Na]+	225.04569	152.3
[M+NH4]+	220.09029	150.3
[M+K]+	241.01963	144.5
[M-H]-	201.04919	143.4
[M+Na-2H]-	223.03114	145.4
[M]+	202.05592	142.8
[M]-	202.05702	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe