CID 60712

Tenidap

Structural Information

Molecular Formula
C14H9ClN2O3S
SMILES
C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O
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/h1-6,19H,(H2,16,20)
InChIKey
IZSFDUMVCVVWKW-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

166
References

22218
Patents

320.00223 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00951 170.9
[M+Na]+ 342.99145 182.7
[M-H]- 318.99495 177.8
[M+NH4]+ 338.03605 189.3
[M+K]+ 358.96539 176.8
[M+H-H2O]+ 302.99949 166.3
[M+HCOO]- 365.00043 185.1
[M+CH3COO]- 379.01608 183.4
[M+Na-2H]- 340.97690 169.1
[M]+ 320.00168 176.9
[M]- 320.00278 176.9
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