CID 135466527

1-(4-bromophenyl)-3-[(z)-(6-chloro-2-oxo-indolin-3-ylidene)amino]urea

Structural Information

Molecular Formula
C15H10BrClN4O2
SMILES
C1=CC(=CC=C1NC(=O)N=NC2=C(NC3=C2C=CC(=C3)Cl)O)Br
InChI
InChI=1S/C15H10BrClN4O2/c16-8-1-4-10(5-2-8)18-15(23)21-20-13-11-6-3-9(17)7-12(11)19-14(13)22/h1-7,19,22H,(H,18,23)
InChIKey
KYAHGQFACOTUNC-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.96756 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.97484 177.2
[M+Na]+ 414.95678 189.9
[M-H]- 390.96028 186.8
[M+NH4]+ 410.00138 194.1
[M+K]+ 430.93072 175.7
[M+H-H2O]+ 374.96482 174.8
[M+HCOO]- 436.96576 197.4
[M+CH3COO]- 450.98141 190.5
[M+Na-2H]- 412.94223 183.9
[M]+ 391.96701 198.6
[M]- 391.96811 198.6
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.