CID 135499537

3-[(3-butyl-4-phenyl)-4-thiazoline)-2-hydrazonono]-2-indolinone

Structural Information

Molecular Formula
C21H20N4OS
SMILES
CCCCN\1C(=CS/C1=N\N=C/2\C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4OS/c1-2-3-13-25-18(15-9-5-4-6-10-15)14-27-21(25)24-23-19-16-11-7-8-12-17(16)22-20(19)26/h4-12,14H,2-3,13H2,1H3,(H,22,23,26)/b24-21-
InChIKey
YQUJNOIPHSUPSY-FLFQWRMESA-N
Compound name
(3Z)-3-[(Z)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.13577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14305 189.4
[M+Na]+ 399.12499 198.6
[M-H]- 375.12849 199.8
[M+NH4]+ 394.16959 204.4
[M+K]+ 415.09893 191.3
[M+H-H2O]+ 359.13303 180.6
[M+HCOO]- 421.13397 209.9
[M+CH3COO]- 435.14962 200.3
[M+Na-2H]- 397.11044 189.1
[M]+ 376.13522 192.5
[M]- 376.13632 192.5
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.