CID 5272728

5-indolizin-2-ylthiazole

Structural Information

Molecular Formula
C11H8N2S
SMILES
C1=CC2=CC(=CN2C=C1)C3=CN=CS3
InChI
InChI=1S/C11H8N2S/c1-2-4-13-7-9(5-10(13)3-1)11-6-12-8-14-11/h1-8H
InChIKey
OTAHPCMBNXYAJN-UHFFFAOYSA-N
Compound name
5-indolizin-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04082 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04810 139.7
[M+Na]+ 223.03004 152.4
[M-H]- 199.03354 146.6
[M+NH4]+ 218.07464 162.1
[M+K]+ 239.00398 148.3
[M+H-H2O]+ 183.03808 133.4
[M+HCOO]- 245.03902 160.9
[M+CH3COO]- 259.05467 154.7
[M+Na-2H]- 221.01549 143.8
[M]+ 200.04027 144.0
[M]- 200.04137 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.