CID 3055510

72549-07-6

Structural Information

Molecular Formula
C14H13ClN4O2S
SMILES
CCN=C1N(C(=O)CS1)NC(=O)C2=CC3=C(N2)C=CC=C3Cl
InChI
InChI=1S/C14H13ClN4O2S/c1-2-16-14-19(12(20)7-22-14)18-13(21)11-6-8-9(15)4-3-5-10(8)17-11/h3-6,17H,2,7H2,1H3,(H,18,21)
InChIKey
UEPREGTWIGGAKW-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-ethylimino-4-oxo-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04477 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05205 174.4
[M+Na]+ 359.03399 184.8
[M+NH4]+ 354.07859 181.4
[M+K]+ 375.00793 180.2
[M-H]- 335.03749 176.9
[M+Na-2H]- 357.01944 178.4
[M]+ 336.04422 176.9
[M]- 336.04532 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.