CID 135499536

3-[(3-p-chlorophenyl-4-methyl-5-carboxy-4-thiazoline)-2-hydrazono]-2-indolinone

Structural Information

Molecular Formula
C19H13ClN4O3S
SMILES
CC1=C(S/C(=N\N=C/2\C3=CC=CC=C3NC2=O)/N1C4=CC=C(C=C4)Cl)C(=O)O
InChI
InChI=1S/C19H13ClN4O3S/c1-10-16(18(26)27)28-19(24(10)12-8-6-11(20)7-9-12)23-22-15-13-4-2-3-5-14(13)21-17(15)25/h2-9H,1H3,(H,26,27)(H,21,22,25)/b23-19-
InChIKey
AZEKDDMPFIPRIC-NMWGTECJSA-N
Compound name
(2Z)-3-(4-chlorophenyl)-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0397 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04698 196.4
[M+Na]+ 435.02892 207.3
[M-H]- 411.03242 206.4
[M+NH4]+ 430.07352 210.1
[M+K]+ 451.00286 199.9
[M+H-H2O]+ 395.03696 189.3
[M+HCOO]- 457.03790 210.6
[M+CH3COO]- 471.05355 206.9
[M+Na-2H]- 433.01437 194.3
[M]+ 412.03915 201.5
[M]- 412.04025 201.5
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.