CID 135499533

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

Structural Information

Molecular Formula
C19H14N4O3S
SMILES
CC1=C(S/C(=N\N=C/2\C3=CC=CC=C3NC2=O)/N1C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C19H14N4O3S/c1-11-16(18(25)26)27-19(23(11)12-7-3-2-4-8-12)22-21-15-13-9-5-6-10-14(13)20-17(15)24/h2-10H,1H3,(H,25,26)(H,20,21,24)/b22-19-
InChIKey
QLKJTILJIAANOX-QOCHGBHMSA-N
Compound name
(2Z)-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.07867 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08595 187.2
[M+Na]+ 401.06789 196.7
[M-H]- 377.07139 197.0
[M+NH4]+ 396.11249 201.1
[M+K]+ 417.04183 190.5
[M+H-H2O]+ 361.07593 179.4
[M+HCOO]- 423.07687 206.1
[M+CH3COO]- 437.09252 198.0
[M+Na-2H]- 399.05334 186.4
[M]+ 378.07812 189.7
[M]- 378.07922 189.7
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.