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 176.6
[M+Na]+ 359.03399 186.8
[M-H]- 335.03749 182.9
[M+NH4]+ 354.07859 193.6
[M+K]+ 375.00793 180.6
[M+H-H2O]+ 319.04203 170.2
[M+HCOO]- 381.04297 190.7
[M+CH3COO]- 395.05862 187.9
[M+Na-2H]- 357.01944 175.7
[M]+ 336.04422 180.6
[M]- 336.04532 180.6
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.