CID 288547

Benzothiazole, 2,3-dihydro-2-(1h-pyrrol-2-yl)-

Structural Information

Molecular Formula
C11H10N2S
SMILES
C1=CC=C2C(=C1)NC(S2)C3=CC=CN3
InChI
InChI=1S/C11H10N2S/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9/h1-7,11-13H
InChIKey
TWDUIGDCMXGSRY-UHFFFAOYSA-N
Compound name
2-(1H-pyrrol-2-yl)-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

202.05647 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.063746 141.7
[M+Na]+ 225.045688 151.3
[M-H]- 201.049194 144.9
[M+NH4]+ 220.090293 162.3
[M+K]+ 241.019628 146.0
[M+H-H2O]+ 185.053730 135.9
[M+HCOO]- 247.054671 157.1
[M+CH3COO]- 261.070321 154.3
[M+Na-2H]- 223.031136 143.3
[M]+ 202.05592142 139.6
[M]- 202.05701858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.