CID 608712

401622-74-0

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C1CC2=C(C3=CC=CC=C31)SC(=N2)N

InChI

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

InChIKey

NBJZFXQLZREGNR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
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	138.6
[M+Na]+	225.04569	148.9
[M-H]-	201.04919	142.8
[M+NH4]+	220.09029	161.0
[M+K]+	241.01963	144.1
[M+H-H2O]+	185.05373	133.0
[M+HCOO]-	247.05467	156.0
[M+CH3COO]-	261.07032	152.2
[M+Na-2H]-	223.03114	143.9
[M]+	202.05592	138.7
[M]-	202.05702	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe