CID 135499530

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

Structural Information

Molecular Formula
C16H14N4O3S
SMILES
CC1=C(S/C(=N\N=C/2\C3=CC=CC=C3NC2=O)/N1CC=C)C(=O)O
InChI
InChI=1S/C16H14N4O3S/c1-3-8-20-9(2)13(15(22)23)24-16(20)19-18-12-10-6-4-5-7-11(10)17-14(12)21/h3-7H,1,8H2,2H3,(H,22,23)(H,17,18,21)/b19-16-
InChIKey
XLULOMAYNZFRNA-MNDPQUGUSA-N
Compound name
(2Z)-4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-prop-2-enyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07867 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08595 179.1
[M+Na]+ 365.06789 188.9
[M-H]- 341.07139 185.6
[M+NH4]+ 360.11249 194.9
[M+K]+ 381.04183 183.0
[M+H-H2O]+ 325.07593 172.3
[M+HCOO]- 387.07687 197.7
[M+CH3COO]- 401.09252 213.0
[M+Na-2H]- 363.05334 177.5
[M]+ 342.07812 182.3
[M]- 342.07922 182.3
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.