CID 4668801

448906-42-1

Structural Information

Molecular Formula
C14H10N2O3S
SMILES
COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
InChIKey
KDDXOGDIPZSCTM-UHFFFAOYSA-N
Compound name
methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

706
Patents

286.0412 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04848 162.6
[M+Na]+ 309.03042 174.5
[M+NH4]+ 304.07502 169.8
[M+K]+ 325.00436 170.9
[M-H]- 285.03392 164.0
[M+Na-2H]- 307.01587 167.9
[M]+ 286.04065 165.0
[M]- 286.04175 165.0
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

patents stripe