CID 16227200

19750-29-9

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 161.9
[M+Na]+ 314.01254 174.9
[M+NH4]+ 309.05714 170.5
[M+K]+ 329.98648 169.1
[M-H]- 290.01604 165.0
[M+Na-2H]- 311.99799 168.5
[M]+ 291.02277 165.2
[M]- 291.02387 165.2
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.