CID 460595

3-[(4,5-diphenyl-(1h)-imidazole-2-yl)-mercaptoacetylhydrazono)-5-bromo-2-indolinone

Structural Information

Molecular Formula
C25H18BrN5O2S
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N=NC3=C(NC4=C3C=C(C=C4)Br)O)C5=CC=CC=C5
InChI
InChI=1S/C25H18BrN5O2S/c26-17-11-12-19-18(13-17)23(24(33)27-19)31-30-20(32)14-34-25-28-21(15-7-3-1-4-8-15)22(29-25)16-9-5-2-6-10-16/h1-13,27,33H,14H2,(H,28,29)
InChIKey
ZNSTYBDITINQBE-UHFFFAOYSA-N
Compound name
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.03644 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.04372 206.1
[M+Na]+ 554.02566 217.5
[M-H]- 530.02916 218.7
[M+NH4]+ 549.07026 215.9
[M+K]+ 569.99960 203.0
[M+H-H2O]+ 514.03370 203.9
[M+HCOO]- 576.03464 222.0
[M+CH3COO]- 590.05029 216.6
[M+Na-2H]- 552.01111 208.1
[M]+ 531.03589 227.5
[M]- 531.03699 227.5
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.