CID 135499531

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

Structural Information

Molecular Formula
C17H18N4O3S
SMILES
CCCCN\1C(=C(S/C1=N\N=C/2\C3=CC=CC=C3NC2=O)C(=O)O)C
InChI
InChI=1S/C17H18N4O3S/c1-3-4-9-21-10(2)14(16(23)24)25-17(21)20-19-13-11-7-5-6-8-12(11)18-15(13)22/h5-8H,3-4,9H2,1-2H3,(H,23,24)(H,18,19,22)/b20-17-
InChIKey
ROLIMZNSDUABFD-JZJYNLBNSA-N
Compound name
(2Z)-3-butyl-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

358.10995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11723 183.8
[M+Na]+ 381.09917 192.7
[M-H]- 357.10267 190.0
[M+NH4]+ 376.14377 199.0
[M+K]+ 397.07311 187.3
[M+H-H2O]+ 341.10721 176.7
[M+HCOO]- 403.10815 201.8
[M+CH3COO]- 417.12380 216.6
[M+Na-2H]- 379.08462 181.7
[M]+ 358.10940 187.9
[M]- 358.11050 187.9
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.