CID 135499539

3-[(3-methyl-4-(p-bromophenyl)-4-thiazoline)-2-hydrazono]-2-indolinone

Structural Information

Molecular Formula
C18H13BrN4OS
SMILES
CN\1C(=CS/C1=N\N=C/2\C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H13BrN4OS/c1-23-15(11-6-8-12(19)9-7-11)10-25-18(23)22-21-16-13-4-2-3-5-14(13)20-17(16)24/h2-10H,1H3,(H,20,21,24)/b22-18-
InChIKey
OXAWLEBLDSWHQU-PYCFMQQDSA-N
Compound name
(3Z)-3-[(Z)-[4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazinylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.99933 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.00661 180.9
[M+Na]+ 434.98855 194.9
[M-H]- 410.99205 194.2
[M+NH4]+ 430.03315 198.6
[M+K]+ 450.96249 181.2
[M+H-H2O]+ 394.99659 179.6
[M+HCOO]- 456.99753 200.2
[M+CH3COO]- 471.01318 194.8
[M+Na-2H]- 432.97400 183.1
[M]+ 411.99878 201.8
[M]- 411.99988 201.8
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.