CID 57946

100599-27-7

Structural Information

Molecular Formula
C14H9ClN2O3S
SMILES
C1=CSC(=C1)C(=O)C2C3=C(C=CC(=C3)Cl)N(C2=O)C(=O)N
InChI
InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,11H,(H2,16,20)
InChIKey
IGPDWKCUDHIIRL-UHFFFAOYSA-N
Compound name
5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15884
Patents

320.00223 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00951 172.5
[M+Na]+ 342.99145 183.1
[M-H]- 318.99495 180.0
[M+NH4]+ 338.03605 191.4
[M+K]+ 358.96539 177.8
[M+H-H2O]+ 302.99949 167.7
[M+HCOO]- 365.00043 185.5
[M+CH3COO]- 379.01608 203.9
[M+Na-2H]- 340.97690 169.3
[M]+ 320.00168 176.8
[M]- 320.00278 176.8
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

patents stripe