CID 135499541

3-[(3-allyl-4-phenyl)-4-thiazoline-2-hydrazono]-5-bromo-2-indolinone

Structural Information

Molecular Formula
C20H15BrN4OS
SMILES
C=CCN\1C(=CS/C1=N\N=C/2\C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H15BrN4OS/c1-2-10-25-17(13-6-4-3-5-7-13)12-27-20(25)24-23-18-15-11-14(21)8-9-16(15)22-19(18)26/h2-9,11-12H,1,10H2,(H,22,23,26)/b24-20-
InChIKey
ZYEWAXKMBGDWHT-GFMRDNFCSA-N
Compound name
(3Z)-5-bromo-3-[(Z)-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.01498 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.02226 188.8
[M+Na]+ 461.00420 202.2
[M-H]- 437.00770 201.7
[M+NH4]+ 456.04880 205.4
[M+K]+ 476.97814 187.5
[M+H-H2O]+ 421.01224 187.1
[M+HCOO]- 483.01318 207.6
[M+CH3COO]- 497.02883 201.8
[M+Na-2H]- 458.98965 190.1
[M]+ 438.01443 209.6
[M]- 438.01553 209.6
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.