CID 16227313

101213-32-5

Structural Information

Molecular Formula

C₁₁H₁₃N₃S

SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C11H13N3S/c12-8-3-4-9-10(7-8)15-11(13-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2

InChIKey

HQWAGLLISXEQGE-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-yl-1,3-benzothiazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 219.08302 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]+	220.09030	145.1
[M+Na]+	242.07224	157.0
[M+NH4]+	237.11684	154.9
[M+K]+	258.04618	151.8
[M-H]-	218.07574	149.2
[M+Na-2H]-	240.05769	151.6
[M]+	219.08247	148.3
[M]-	219.08357	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe