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]+ 203.06375 141.7
[M+Na]+ 225.04569 151.3
[M-H]- 201.04919 144.9
[M+NH4]+ 220.09029 162.3
[M+K]+ 241.01963 146.0
[M+H-H2O]+ 185.05373 135.9
[M+HCOO]- 247.05467 157.1
[M+CH3COO]- 261.07032 154.3
[M+Na-2H]- 223.03114 143.3
[M]+ 202.05592 139.6
[M]- 202.05702 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.