CID 17570945

2-chloro-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one

Structural Information

Molecular Formula
C14H13ClN2OS
SMILES
CC1=NC(=CS1)C2=CC3=C(C=C2)N(CC3)C(=O)CCl
InChI
InChI=1S/C14H13ClN2OS/c1-9-16-12(8-19-9)10-2-3-13-11(6-10)4-5-17(13)14(18)7-15/h2-3,6,8H,4-5,7H2,1H3
InChIKey
HCYKAKLBUXPOIM-UHFFFAOYSA-N
Compound name
2-chloro-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0437 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05098 167.2
[M+Na]+ 315.03292 178.3
[M-H]- 291.03642 173.4
[M+NH4]+ 310.07752 186.8
[M+K]+ 331.00686 172.9
[M+H-H2O]+ 275.04096 161.2
[M+HCOO]- 337.04190 179.0
[M+CH3COO]- 351.05755 179.6
[M+Na-2H]- 313.01837 164.9
[M]+ 292.04315 172.3
[M]- 292.04425 172.3
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.