CID 16227200

2-chloro-n-[4-(1h-indol-3-yl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula
C13H10ClN3OS
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)NC(=O)CCl
InChI
InChI=1S/C13H10ClN3OS/c14-5-12(18)17-13-16-11(7-19-13)9-6-15-10-4-2-1-3-8(9)10/h1-4,6-7,15H,5H2,(H,16,17,18)
InChIKey
PEWBVMVLKSBTKF-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.02332 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03060 163.0
[M+Na]+ 314.01254 174.4
[M-H]- 290.01604 168.4
[M+NH4]+ 309.05714 181.4
[M+K]+ 329.98648 167.8
[M+H-H2O]+ 274.02058 156.9
[M+HCOO]- 336.02152 177.5
[M+CH3COO]- 350.03717 175.4
[M+Na-2H]- 311.99799 164.5
[M]+ 291.02277 167.8
[M]- 291.02387 167.8
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.