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]+ 201.048096 139.7
[M+Na]+ 223.030038 152.4
[M-H]- 199.033544 146.6
[M+NH4]+ 218.074643 162.1
[M+K]+ 239.003978 148.3
[M+H-H2O]+ 183.038080 133.4
[M+HCOO]- 245.039021 160.9
[M+CH3COO]- 259.054671 154.7
[M+Na-2H]- 221.015486 143.8
[M]+ 200.04027142 144.0
[M]- 200.04136858 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.