CID 71778713

1351634-83-7

Structural Information

Molecular Formula

C₈H₅N₃S₂

SMILES

C1=CC2=C(C3=C1N=C(S3)N)N=CS2

InChI

InChI=1S/C8H5N3S2/c9-8-11-4-1-2-5-6(7(4)13-8)10-3-12-5/h1-3H,(H2,9,11)

InChIKey

QKDFGBUSMQNQNA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 206.9925 Da
Monoisotopic Mass: 2.5
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]+	207.99978	135.5
[M+Na]+	229.98172	151.2
[M-H]-	205.98522	140.4
[M+NH4]+	225.02632	159.2
[M+K]+	245.95566	146.2
[M+H-H2O]+	189.98976	131.5
[M+HCOO]-	251.99070	152.5
[M+CH3COO]-	266.00635	150.9
[M+Na-2H]-	227.96717	140.2
[M]+	206.99195	141.8
[M]-	206.99305	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe